PC-Compounds ::= {
{
id {
id cid 24770291
},
atoms {
aid {
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
29,
30,
31,
32,
33,
34,
35,
36,
37,
38,
39,
40,
41,
42,
43,
44,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
55,
56,
57,
58,
59,
60,
61,
62,
63,
64,
65,
66,
67,
68,
69,
70,
71,
72,
73,
74,
75,
76,
77,
78,
79,
80,
81,
82,
83,
84,
85,
86,
87,
88,
89,
90,
91,
92,
93,
94,
95,
96,
97,
98,
99,
100,
101,
102,
103,
104,
105,
106,
107,
108,
109,
110,
111,
112,
113,
114,
115,
116,
117,
118,
119,
120,
121,
122,
123,
124,
125,
126,
127,
128,
129,
130,
131,
132,
133,
134,
135,
136,
137,
138,
139,
140,
141,
142,
143,
144,
145,
146,
147,
148,
149,
150,
151,
152,
153,
154,
155,
156,
157,
158,
159,
160,
161,
162,
163,
164,
165,
166,
167,
168,
169,
170,
171,
172,
173,
174,
175,
176,
177,
178,
179,
180,
181,
182,
183,
184,
185,
186,
187,
188,
189,
190,
191,
192,
193,
194,
195,
196,
197,
198,
199,
200,
201,
202,
203,
204,
205,
206,
207,
208,
209,
210,
211,
212,
213,
214,
215,
216,
217,
218,
219,
220,
221,
222,
223,
224,
225,
226,
227,
228,
229,
230,
231,
232,
233,
234,
235,
236,
237,
238,
239,
240,
241,
242,
243,
244,
245,
246,
247,
248,
249,
250,
251,
252,
253,
254,
255,
256,
257,
258,
259,
260,
261,
262,
263,
264,
265,
266,
267,
268,
269,
270,
271,
272,
273,
274,
275,
276,
277,
278,
279,
280,
281,
282,
283,
284,
285,
286,
287,
288,
289,
290,
291,
292,
293,
294,
295,
296,
297,
298,
299,
300,
301,
302,
303,
304,
305,
306,
307,
308,
309,
310,
311,
312,
313,
314,
315,
316,
317,
318,
319,
320,
321,
322,
323,
324,
325,
326,
327,
328,
329,
330,
331,
332,
333,
334,
335,
336,
337,
338,
339,
340,
341,
342,
343,
344,
345,
346,
347,
348,
349,
350,
351,
352,
353,
354,
355,
356,
357,
358,
359,
360,
361,
362,
363,
364,
365,
366,
367,
368,
369,
370,
371,
372,
373,
374,
375,
376,
377,
378,
379,
380,
381,
382,
383,
384,
385,
386,
387,
388,
389,
390,
391,
392,
393,
394,
395,
396,
397,
398,
399,
400,
401,
402,
403,
404,
405,
406,
407,
408,
409,
410,
411,
412,
413
},
element {
s,
s,
s,
s,
s,
s,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
o,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
n,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
c,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h,
h
}
},
bonds {
aid1 {
1,
1,
2,
2,
3,
4,
5,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
28,
29,
30,
30,
31,
32,
32,
33,
34,
35,
36,
36,
37,
38,
38,
39,
40,
41,
42,
43,
44,
45,
45,
46,
46,
47,
48,
48,
48,
49,
49,
49,
50,
50,
50,
51,
51,
51,
52,
52,
52,
53,
53,
53,
54,
54,
54,
55,
55,
55,
56,
56,
56,
57,
57,
57,
58,
58,
58,
59,
59,
59,
60,
60,
60,
61,
61,
61,
62,
62,
62,
63,
63,
63,
64,
64,
64,
65,
65,
65,
66,
66,
66,
67,
67,
67,
68,
68,
68,
69,
69,
69,
70,
70,
70,
71,
71,
71,
72,
72,
72,
73,
73,
73,
74,
74,
74,
75,
75,
75,
76,
76,
76,
77,
77,
77,
78,
78,
78,
79,
79,
79,
80,
80,
80,
81,
81,
81,
82,
82,
82,
83,
83,
83,
84,
84,
85,
85,
85,
86,
86,
86,
88,
88,
88,
89,
89,
89,
90,
90,
91,
91,
91,
93,
93,
93,
95,
95,
95,
96,
96,
96,
98,
98,
98,
99,
99,
99,
100,
100,
100,
101,
102,
102,
102,
103,
103,
103,
104,
104,
105,
105,
105,
106,
106,
106,
107,
107,
107,
108,
108,
110,
111,
111,
112,
112,
114,
114,
115,
116,
116,
117,
117,
117,
118,
118,
119,
119,
119,
120,
121,
122,
122,
123,
123,
123,
125,
125,
126,
126,
126,
127,
127,
127,
128,
128,
129,
129,
129,
130,
131,
131,
131,
132,
133,
133,
133,
134,
134,
135,
135,
137,
137,
137,
138,
138,
138,
139,
140,
140,
141,
141,
142,
142,
142,
143,
143,
143,
145,
145,
145,
146,
146,
146,
147,
147,
147,
148,
148,
149,
149,
149,
151,
151,
153,
153,
153,
155,
155,
155,
157,
157,
157,
158,
158,
158,
160,
161,
161,
162,
162,
162,
164,
164,
164,
165,
165,
166,
166,
167,
167,
169,
169,
169,
170,
170,
170,
171,
171,
171,
172,
173,
173,
173,
175,
176,
176,
177,
177,
178,
178,
179,
179,
179,
180,
180,
181,
181,
181,
182,
182,
184,
184,
184,
185,
185,
186,
186,
187,
187,
188,
188,
188,
190,
190,
190,
191,
191,
191,
193,
193,
193,
195,
195,
195,
197,
197,
197,
198,
198,
198,
199,
201,
201,
201,
202,
202,
203,
203,
203,
204,
204,
204,
205,
205,
205,
206,
206,
208,
208,
208,
209,
209,
209,
210,
210,
210,
211,
211
},
aid2 {
3,
108,
4,
111,
137,
143,
6,
148,
179,
87,
92,
94,
97,
101,
109,
110,
113,
115,
122,
297,
124,
130,
132,
136,
144,
150,
152,
154,
156,
159,
160,
165,
359,
163,
166,
364,
168,
174,
380,
172,
174,
175,
185,
389,
183,
192,
407,
189,
194,
196,
199,
200,
207,
211,
412,
212,
413,
212,
81,
83,
87,
85,
89,
94,
86,
101,
233,
92,
100,
237,
93,
110,
241,
97,
105,
248,
104,
115,
258,
109,
117,
261,
113,
123,
268,
120,
121,
270,
114,
130,
271,
116,
132,
273,
124,
131,
285,
136,
145,
299,
134,
152,
305,
140,
156,
315,
141,
160,
317,
149,
150,
320,
144,
157,
321,
154,
155,
327,
151,
172,
331,
161,
175,
335,
163,
171,
336,
159,
337,
338,
168,
181,
349,
180,
183,
365,
176,
199,
370,
182,
196,
371,
189,
190,
379,
191,
200,
384,
194,
203,
387,
202,
207,
398,
206,
410,
411,
82,
92,
213,
84,
214,
215,
84,
216,
217,
218,
219,
88,
97,
220,
87,
91,
221,
90,
222,
223,
90,
224,
225,
226,
227,
96,
98,
228,
94,
95,
229,
99,
102,
230,
103,
231,
232,
234,
235,
236,
107,
238,
239,
108,
109,
240,
104,
242,
243,
244,
245,
246,
247,
106,
249,
111,
113,
250,
112,
251,
252,
253,
254,
255,
256,
257,
114,
259,
260,
118,
120,
262,
263,
116,
119,
264,
122,
124,
265,
121,
125,
126,
127,
266,
267,
128,
129,
269,
133,
136,
272,
135,
274,
275,
276,
277,
278,
279,
280,
139,
281,
282,
283,
284,
134,
138,
144,
286,
140,
287,
288,
289,
142,
290,
139,
291,
141,
292,
293,
146,
147,
294,
295,
148,
296,
150,
298,
159,
300,
301,
151,
302,
303,
153,
154,
304,
306,
307,
308,
309,
310,
311,
312,
313,
152,
158,
314,
163,
316,
162,
318,
319,
156,
166,
322,
165,
168,
323,
167,
324,
325,
161,
164,
326,
174,
328,
329,
169,
170,
330,
173,
332,
333,
334,
177,
178,
339,
340,
341,
342,
343,
344,
183,
185,
345,
182,
346,
347,
348,
176,
184,
350,
186,
351,
187,
352,
180,
353,
354,
194,
355,
189,
193,
356,
357,
358,
188,
360,
361,
362,
363,
192,
366,
192,
367,
198,
368,
369,
195,
200,
372,
196,
197,
373,
374,
375,
376,
201,
377,
378,
204,
205,
381,
206,
382,
383,
202,
209,
210,
385,
208,
386,
207,
211,
388,
390,
391,
392,
393,
394,
395,
396,
397,
212,
399,
400,
401,
402,
403,
404,
405,
406,
408,
409
},
order {
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
double,
double,
double,
double,
double,
double,
double,
double,
single,
single,
double,
double,
double,
double,
double,
double,
double,
double,
double,
double,
double,
single,
single,
double,
single,
single,
double,
single,
single,
double,
double,
double,
single,
single,
double,
single,
single,
double,
double,
double,
double,
double,
double,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
double,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single,
single
}
},
stereo {
tetrahedral {
center 81,
above 48,
top 82,
bottom 92,
below 213,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 85,
above 49,
top 88,
bottom 97,
below 220,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 86,
above 50,
top 91,
bottom 87,
below 221,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 91,
above 86,
top 98,
bottom 96,
below 228,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 93,
above 52,
top 95,
bottom 94,
below 229,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 95,
above 93,
top 102,
bottom 99,
below 230,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 100,
above 51,
top 108,
bottom 109,
below 240,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 104,
above 54,
top 106,
bottom 101,
below 249,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 105,
above 53,
top 111,
bottom 113,
below 250,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 116,
above 59,
top 119,
bottom 115,
below 264,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 117,
above 55,
top 122,
bottom 124,
below 265,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 122,
above 16,
top 117,
bottom 129,
below 269,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 123,
above 56,
top 133,
bottom 136,
below 272,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 131,
above 60,
top 138,
bottom 144,
below 286,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 134,
above 62,
top 142,
bottom 130,
below 290,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 140,
above 63,
top 148,
bottom 132,
below 296,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 141,
above 64,
top 137,
bottom 150,
below 298,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 145,
above 61,
top 153,
bottom 154,
below 304,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 149,
above 65,
top 158,
bottom 152,
below 314,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 151,
above 68,
top 143,
bottom 163,
below 316,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 155,
above 67,
top 166,
bottom 156,
below 322,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 157,
above 66,
top 165,
bottom 168,
below 323,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 161,
above 69,
top 164,
bottom 160,
below 326,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 165,
above 28,
top 157,
bottom 173,
below 332,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 171,
above 70,
top 185,
bottom 183,
below 345,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 176,
above 74,
top 184,
bottom 175,
below 350,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 180,
above 73,
top 179,
bottom 194,
below 355,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 181,
above 72,
top 193,
bottom 189,
below 356,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 190,
above 76,
top 195,
bottom 200,
below 372,
parity clockwise,
type tetrahedral
},
tetrahedral {
center 191,
above 77,
top 197,
bottom 196,
below 373,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 202,
above 79,
top 208,
bottom 199,
below 386,
parity counterclockwise,
type tetrahedral
},
tetrahedral {
center 203,
above 78,
top 211,
bottom 207,
below 388,
parity counterclockwise,
type tetrahedral
}
},
coords {
{
type {
twod,
computed,
units-unknown
},
aid {
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
29,
30,
31,
32,
33,
34,
35,
36,
37,
38,
39,
40,
41,
42,
43,
44,
45,
46,
47,
48,
49,
50,
51,
52,
53,
54,
55,
56,
57,
58,
59,
60,
61,
62,
63,
64,
65,
66,
67,
68,
69,
70,
71,
72,
73,
74,
75,
76,
77,
78,
79,
80,
81,
82,
83,
84,
85,
86,
87,
88,
89,
90,
91,
92,
93,
94,
95,
96,
97,
98,
99,
100,
101,
102,
103,
104,
105,
106,
107,
108,
109,
110,
111,
112,
113,
114,
115,
116,
117,
118,
119,
120,
121,
122,
123,
124,
125,
126,
127,
128,
129,
130,
131,
132,
133,
134,
135,
136,
137,
138,
139,
140,
141,
142,
143,
144,
145,
146,
147,
148,
149,
150,
151,
152,
153,
154,
155,
156,
157,
158,
159,
160,
161,
162,
163,
164,
165,
166,
167,
168,
169,
170,
171,
172,
173,
174,
175,
176,
177,
178,
179,
180,
181,
182,
183,
184,
185,
186,
187,
188,
189,
190,
191,
192,
193,
194,
195,
196,
197,
198,
199,
200,
201,
202,
203,
204,
205,
206,
207,
208,
209,
210,
211,
212,
213,
214,
215,
216,
217,
218,
219,
220,
221,
222,
223,
224,
225,
226,
227,
228,
229,
230,
231,
232,
233,
234,
235,
236,
237,
238,
239,
240,
241,
242,
243,
244,
245,
246,
247,
248,
249,
250,
251,
252,
253,
254,
255,
256,
257,
258,
259,
260,
261,
262,
263,
264,
265,
266,
267,
268,
269,
270,
271,
272,
273,
274,
275,
276,
277,
278,
279,
280,
281,
282,
283,
284,
285,
286,
287,
288,
289,
290,
291,
292,
293,
294,
295,
296,
297,
298,
299,
300,
301,
302,
303,
304,
305,
306,
307,
308,
309,
310,
311,
312,
313,
314,
315,
316,
317,
318,
319,
320,
321,
322,
323,
324,
325,
326,
327,
328,
329,
330,
331,
332,
333,
334,
335,
336,
337,
338,
339,
340,
341,
342,
343,
344,
345,
346,
347,
348,
349,
350,
351,
352,
353,
354,
355,
356,
357,
358,
359,
360,
361,
362,
363,
364,
365,
366,
367,
368,
369,
370,
371,
372,
373,
374,
375,
376,
377,
378,
379,
380,
381,
382,
383,
384,
385,
386,
387,
388,
389,
390,
391,
392,
393,
394,
395,
396,
397,
398,
399,
400,
401,
402,
403,
404,
405,
406,
407,
408,
409,
410,
411,
412,
413
},
conformers {
{
x {
{ 226385, 10, -4 },
{ 260792, 10, -4 },
{ 226344, 10, -4 },
{ 26541, 10, -3 },
{ 289439, 10, -4 },
{ 305045, 10, -4 },
{ 223456, 10, -4 },
{ 219981, 10, -4 },
{ 246689, 10, -4 },
{ 25583, 10, -3 },
{ 233369, 10, -4 },
{ 1984, 10, -2 },
{ 236219, 10, -4 },
{ 266083, 10, -4 },
{ 242023, 10, -4 },
{ 136554, 10, -4 },
{ 122792, 10, -4 },
{ 2312, 10, -2 },
{ 250667, 10, -4 },
{ 267248, 10, -4 },
{ 57764, 10, -4 },
{ 217649, 10, -4 },
{ 220936, 10, -4 },
{ 264726, 10, -4 },
{ 255267, 10, -4 },
{ 229323, 10, -4 },
{ 244823, 10, -4 },
{ 26191, 10, -4 },
{ 305315, 10, -4 },
{ 271958, 10, -4 },
{ 25954, 10, -4 },
{ 289744, 10, -4 },
{ 240617, 10, -4 },
{ 285567, 10, -4 },
{ 275159, 10, -4 },
{ 329071, 10, -4 },
{ 336622, 10, -4 },
{ 185076, 10, -4 },
{ 3592, 10, -3 },
{ 328985, 10, -4 },
{ 159936, 10, -4 },
{ 295407, 10, -4 },
{ 84981, 10, -4 },
{ 313107, 10, -4 },
{ 326797, 10, -4 },
{ 315195, 10, -4 },
{ 312766, 10, -4 },
{ 230735, 10, -4 },
{ 246567, 10, -4 },
{ 235063, 10, -4 },
{ 227725, 10, -4 },
{ 241263, 10, -4 },
{ 256375, 10, -4 },
{ 240198, 10, -4 },
{ 176515, 10, -4 },
{ 257511, 10, -4 },
{ 234005, 10, -4 },
{ 236037, 10, -4 },
{ 245538, 10, -4 },
{ 10365, 10, -3 },
{ 256813, 10, -4 },
{ 231504, 10, -4 },
{ 250452, 10, -4 },
{ 235169, 10, -4 },
{ 228198, 10, -4 },
{ 51655, 10, -4 },
{ 254364, 10, -4 },
{ 259619, 10, -4 },
{ 258718, 10, -4 },
{ 311238, 10, -4 },
{ 219464, 10, -4 },
{ 34522, 10, -4 },
{ 327872, 10, -4 },
{ 280069, 10, -4 },
{ 186904, 10, -4 },
{ 5686, 10, -3 },
{ 112659, 10, -4 },
{ 315263, 10, -4 },
{ 298986, 10, -4 },
{ 316664, 10, -4 },
{ 229564, 10, -4 },
{ 218533, 10, -4 },
{ 229015, 10, -4 },
{ 218039, 10, -4 },
{ 254657, 10, -4 },
{ 233503, 10, -4 },
{ 232054, 10, -4 },
{ 262747, 10, -4 },
{ 249657, 10, -4 },
{ 259657, 10, -4 },
{ 226105, 10, -4 },
{ 228556, 10, -4 },
{ 243053, 10, -4 },
{ 244829, 10, -4 },
{ 241168, 10, -4 },
{ 216579, 10, -4 },
{ 255606, 10, -4 },
{ 221456, 10, -4 },
{ 24873, 10, -3 },
{ 22708, 10, -3 },
{ 236713, 10, -4 },
{ 236037, 10, -4 },
{ 209182, 10, -4 },
{ 238433, 10, -4 },
{ 256954, 10, -4 },
{ 237048, 10, -4 },
{ 246845, 10, -4 },
{ 226632, 10, -4 },
{ 202116, 10, -4 },
{ 239481, 10, -4 },
{ 257972, 10, -4 },
{ 233967, 10, -4 },
{ 257334, 10, -4 },
{ 237731, 10, -4 },
{ 241987, 10, -4 },
{ 243774, 10, -4 },
{ 151056, 10, -4 },
{ 22451, 10, -3 },
{ 247487, 10, -4 },
{ 239821, 10, -4 },
{ 224535, 10, -4 },
{ 146539, 10, -4 },
{ 257483, 10, -4 },
{ 126518, 10, -4 },
{ 215837, 10, -4 },
{ 244363, 10, -4 },
{ 2512, 10, -2 },
{ 215886, 10, -4 },
{ 152006, 10, -4 },
{ 23442, 10, -3 },
{ 83148, 10, -4 },
{ 247253, 10, -4 },
{ 267105, 10, -4 },
{ 232902, 10, -4 },
{ 207189, 10, -4 },
{ 257249, 10, -4 },
{ 226508, 10, -4 },
{ 74768, 10, -4 },
{ 207213, 10, -4 },
{ 248899, 10, -4 },
{ 226875, 10, -4 },
{ 226425, 10, -4 },
{ 271821, 10, -4 },
{ 65638, 10, -4 },
{ 256181, 10, -4 },
{ 65852, 10, -4 },
{ 75305, 10, -4 },
{ 270532, 10, -4 },
{ 229136, 10, -4 },
{ 227441, 10, -4 },
{ 280017, 10, -4 },
{ 230243, 10, -4 },
{ 266158, 10, -4 },
{ 255361, 10, -4 },
{ 253203, 10, -4 },
{ 251894, 10, -4 },
{ 41626, 10, -4 },
{ 222692, 10, -4 },
{ 222945, 10, -4 },
{ 243248, 10, -4 },
{ 251101, 10, -4 },
{ 273098, 10, -4 },
{ 2974, 10, -2 },
{ 260084, 10, -4 },
{ 3164, 10, -3 },
{ 26236, 10, -3 },
{ 213288, 10, -4 },
{ 35856, 10, -4 },
{ 259028, 10, -4 },
{ 270061, 10, -4 },
{ 321108, 10, -4 },
{ 236829, 10, -4 },
{ 27102, 10, -4 },
{ 282803, 10, -4 },
{ 266092, 10, -4 },
{ 273211, 10, -4 },
{ 205641, 10, -4 },
{ 211531, 10, -4 },
{ 316871, 10, -4 },
{ 324559, 10, -4 },
{ 37664, 10, -4 },
{ 212341, 10, -4 },
{ 32671, 10, -3 },
{ 282046, 10, -4 },
{ 32953, 10, -3 },
{ 196237, 10, -4 },
{ 202127, 10, -4 },
{ 29052, 10, -3 },
{ 45187, 10, -4 },
{ 72328, 10, -4 },
{ 136291, 10, -4 },
{ 19448, 10, -3 },
{ 28758, 10, -4 },
{ 32007, 10, -3 },
{ 63427, 10, -4 },
{ 161294, 10, -4 },
{ 13087, 10, -3 },
{ 299355, 10, -4 },
{ 286655, 10, -4 },
{ 91119, 10, -4 },
{ 5503, 10, -3 },
{ 292964, 10, -4 },
{ 310142, 10, -4 },
{ 120883, 10, -4 },
{ 135438, 10, -4 },
{ 30783, 10, -3 },
{ 304714, 10, -4 },
{ 299129, 10, -4 },
{ 46129, 10, -4 },
{ 55533, 10, -4 },
{ 317096, 10, -4 },
{ 30903, 10, -3 },
{ 222027, 10, -4 },
{ 21858, 10, -3 },
{ 212335, 10, -4 },
{ 228277, 10, -4 },
{ 235156, 10, -4 },
{ 211852, 10, -4 },
{ 217531, 10, -4 },
{ 246204, 10, -4 },
{ 227216, 10, -4 },
{ 265847, 10, -4 },
{ 268411, 10, -4 },
{ 250305, 10, -4 },
{ 243593, 10, -4 },
{ 265722, 10, -4 },
{ 259009, 10, -4 },
{ 23101, 10, -3 },
{ 250349, 10, -4 },
{ 235375, 10, -4 },
{ 219462, 10, -4 },
{ 211674, 10, -4 },
{ 232333, 10, -4 },
{ 215967, 10, -4 },
{ 218573, 10, -4 },
{ 226945, 10, -4 },
{ 221542, 10, -4 },
{ 251911, 10, -4 },
{ 254523, 10, -4 },
{ 218773, 10, -4 },
{ 243132, 10, -4 },
{ 241359, 10, -4 },
{ 232856, 10, -4 },
{ 230716, 10, -4 },
{ 20501, 10, -3 },
{ 204596, 10, -4 },
{ 213354, 10, -4 },
{ 262118, 10, -4 },
{ 235526, 10, -4 },
{ 259703, 10, -4 },
{ 241462, 10, -4 },
{ 231006, 10, -4 },
{ 252934, 10, -4 },
{ 245676, 10, -4 },
{ 240756, 10, -4 },
{ 220802, 10, -4 },
{ 232714, 10, -4 },
{ 23951, 10, -3 },
{ 252508, 10, -4 },
{ 264167, 10, -4 },
{ 176316, 10, -4 },
{ 239386, 10, -4 },
{ 2394, 10, -2 },
{ 242889, 10, -4 },
{ 151522, 10, -4 },
{ 253244, 10, -4 },
{ 246021, 10, -4 },
{ 263244, 10, -4 },
{ 143738, 10, -4 },
{ 235946, 10, -4 },
{ 235798, 10, -4 },
{ 261262, 10, -4 },
{ 246972, 10, -4 },
{ 215822, 10, -4 },
{ 238473, 10, -4 },
{ 242426, 10, -4 },
{ 250252, 10, -4 },
{ 245443, 10, -4 },
{ 253502, 10, -4 },
{ 256957, 10, -4 },
{ 215901, 10, -4 },
{ 157197, 10, -4 },
{ 155396, 10, -4 },
{ 146815, 10, -4 },
{ 100373, 10, -4 },
{ 8034, 10, -3 },
{ 268793, 10, -4 },
{ 273071, 10, -4 },
{ 265417, 10, -4 },
{ 228127, 10, -4 },
{ 201812, 10, -4 },
{ 221733, 10, -4 },
{ 232639, 10, -4 },
{ 74435, 10, -4 },
{ 201852, 10, -4 },
{ 252697, 10, -4 },
{ 133753, 10, -4 },
{ 218406, 10, -4 },
{ 263007, 10, -4 },
{ 220234, 10, -4 },
{ 231775, 10, -4 },
{ 266081, 10, -4 },
{ 277959, 10, -4 },
{ 261399, 10, -4 },
{ 231293, 10, -4 },
{ 63045, 10, -4 },
{ 60324, 10, -4 },
{ 68659, 10, -4 },
{ 81496, 10, -4 },
{ 75638, 10, -4 },
{ 69114, 10, -4 },
{ 276326, 10, -4 },
{ 266759, 10, -4 },
{ 225141, 10, -4 },
{ 255983, 10, -4 },
{ 285738, 10, -4 },
{ 238906, 10, -4 },
{ 264315, 10, -4 },
{ 271493, 10, -4 },
{ 222063, 10, -4 },
{ 46183, 10, -4 },
{ 259246, 10, -4 },
{ 34499, 10, -4 },
{ 228514, 10, -4 },
{ 219146, 10, -4 },
{ 248585, 10, -4 },
{ 259308, 10, -4 },
{ 275615, 10, -4 },
{ 267955, 10, -4 },
{ 261274, 10, -4 },
{ 262931, 10, -4 },
{ 25448, 10, -4 },
{ 258344, 10, -4 },
{ 265733, 10, -4 },
{ 264758, 10, -4 },
{ 31673, 10, -3 },
{ 223418, 10, -4 },
{ 213352, 10, -4 },
{ 252863, 10, -4 },
{ 258374, 10, -4 },
{ 265194, 10, -4 },
{ 270487, 10, -4 },
{ 276246, 10, -4 },
{ 269635, 10, -4 },
{ 327302, 10, -4 },
{ 32627, 10, -4 },
{ 24289, 10, -4 },
{ 21577, 10, -4 },
{ 28326, 10, -4 },
{ 276502, 10, -4 },
{ 206731, 10, -4 },
{ 216272, 10, -4 },
{ 322991, 10, -4 },
{ 311141, 10, -4 },
{ 328277, 10, -4 },
{ 32462, 10, -4 },
{ 210279, 10, -4 },
{ 211027, 10, -4 },
{ 2, 10, 0 },
{ 286199, 10, -4 },
{ 278234, 10, -4 },
{ 33558, 10, -3 },
{ 331916, 10, -4 },
{ 27644, 10, -3 },
{ 334066, 10, -4 },
{ 191496, 10, -4 },
{ 201037, 10, -4 },
{ 286367, 10, -4 },
{ 294332, 10, -4 },
{ 284752, 10, -4 },
{ 187145, 10, -4 },
{ 68962, 10, -4 },
{ 135986, 10, -4 },
{ 25939, 10, -4 },
{ 23236, 10, -4 },
{ 31578, 10, -4 },
{ 59208, 10, -4 },
{ 67168, 10, -4 },
{ 51608, 10, -4 },
{ 295761, 10, -4 },
{ 128039, 10, -4 },
{ 303508, 10, -4 },
{ 295543, 10, -4 },
{ 109763, 10, -4 },
{ 49823, 10, -4 },
{ 298715, 10, -4 },
{ 321462, 10, -4 },
{ 315718, 10, -4 },
{ 334293, 10, -4 },
{ 121188, 10, -4 },
{ 11469, 10, -3 },
{ 120577, 10, -4 },
{ 129923, 10, -4 },
{ 13827, 10, -3 },
{ 140954, 10, -4 },
{ 303676, 10, -4 },
{ 311642, 10, -4 },
{ 304061, 10, -4 },
{ 301051, 10, -4 },
{ 293657, 10, -4 },
{ 43303, 10, -4 },
{ 4061, 10, -3 },
{ 48954, 10, -4 },
{ 61725, 10, -4 },
{ 55846, 10, -4 },
{ 49341, 10, -4 },
{ 183987, 10, -4 },
{ 319624, 10, -4 },
{ 31196, 10, -3 },
{ 316887, 10, -4 },
{ 321919, 10, -4 },
{ 331108, 10, -4 },
{ 321334, 10, -4 }
},
y {
{ 127435, 10, -4 },
{ 29645, 10, -4 },
{ 129225, 10, -4 },
{ -21806, 10, -4 },
{ 83656, 10, -4 },
{ 6331, 10, -3 },
{ 111515, 10, -4 },
{ 115525, 10, -4 },
{ 15384, 10, -3 },
{ 146182, 10, -4 },
{ 104571, 10, -4 },
{ 139064, 10, -4 },
{ 153546, 10, -4 },
{ 135964, 10, -4 },
{ 103097, 10, -4 },
{ 137614, 10, -4 },
{ 129984, 10, -4 },
{ 151826, 10, -4 },
{ 104634, 10, -4 },
{ 125636, 10, -4 },
{ 81141, 10, -4 },
{ 136491, 10, -4 },
{ 142676, 10, -4 },
{ 11726, 10, -3 },
{ 107281, 10, -4 },
{ 166103, 10, -4 },
{ 130272, 10, -4 },
{ 22026, 10, -4 },
{ -111328, 10, -4 },
{ 116702, 10, -4 },
{ 6292, 10, -4 },
{ 133657, 10, -4 },
{ -160607, 10, -4 },
{ 116848, 10, -4 },
{ 104001, 10, -4 },
{ -75346, 10, -4 },
{ -36267, 10, -4 },
{ 158859, 10, -4 },
{ -74423, 10, -4 },
{ 29855, 10, -4 },
{ -170845, 10, -4 },
{ 81736, 10, -4 },
{ -139286, 10, -4 },
{ 57424, 10, -4 },
{ 48036, 10, -4 },
{ 83151, 10, -4 },
{ 66001, 10, -4 },
{ 117834, 10, -4 },
{ 143581, 10, -4 },
{ 11469, 10, -3 },
{ 122256, 10, -4 },
{ 144272, 10, -4 },
{ 134567, 10, -4 },
{ 113193, 10, -4 },
{ 131201, 10, -4 },
{ 129339, 10, -4 },
{ 77982, 10, -4 },
{ 14313, 10, -3 },
{ 11352, 10, -3 },
{ 109108, 10, -4 },
{ 124036, 10, -4 },
{ 140289, 10, -4 },
{ 115631, 10, -4 },
{ 126722, 10, -4 },
{ 136084, 10, -4 },
{ 53484, 10, -4 },
{ 11928, 10, -3 },
{ -139603, 10, -4 },
{ 10692, 10, -3 },
{ -8363, 10, -3 },
{ 167776, 10, -4 },
{ -20705, 10, -4 },
{ -9328, 10, -4 },
{ 84764, 10, -4 },
{ -162185, 10, -4 },
{ -93495, 10, -4 },
{ -145302, 10, -4 },
{ 34389, 10, -4 },
{ 60499, 10, -4 },
{ 95836, 10, -4 },
{ 119189, 10, -4 },
{ 119067, 10, -4 },
{ 106937, 10, -4 },
{ 108046, 10, -4 },
{ 137703, 10, -4 },
{ 115569, 10, -4 },
{ 116622, 10, -4 },
{ 143581, 10, -4 },
{ 153091, 10, -4 },
{ 153091, 10, -4 },
{ 10884, 10, -3 },
{ 120669, 10, -4 },
{ 144246, 10, -4 },
{ 144014, 10, -4 },
{ 154066, 10, -4 },
{ 111882, 10, -4 },
{ 136184, 10, -4 },
{ 99987, 10, -4 },
{ 16061, 10, -3 },
{ 123927, 10, -4 },
{ 113995, 10, -4 },
{ 16265, 10, -3 },
{ 105153, 10, -4 },
{ 113494, 10, -4 },
{ 132872, 10, -4 },
{ 10359, 10, -3 },
{ 17043, 10, -3 },
{ 125661, 10, -4 },
{ 12978, 10, -3 },
{ 144093, 10, -4 },
{ 81225, 10, -4 },
{ 94077, 10, -4 },
{ 131122, 10, -4 },
{ 14371, 10, -3 },
{ 113097, 10, -4 },
{ 113206, 10, -4 },
{ 128144, 10, -4 },
{ 91007, 10, -4 },
{ 103921, 10, -4 },
{ 86044, 10, -4 },
{ 81006, 10, -4 },
{ 137065, 10, -4 },
{ 127549, 10, -4 },
{ 120704, 10, -4 },
{ 95987, 10, -4 },
{ 94421, 10, -4 },
{ 94635, 10, -4 },
{ 75986, 10, -4 },
{ 145439, 10, -4 },
{ 142359, 10, -4 },
{ 93708, 10, -4 },
{ 114033, 10, -4 },
{ 130271, 10, -4 },
{ 141408, 10, -4 },
{ 90966, 10, -4 },
{ 125773, 10, -4 },
{ 131008, 10, -4 },
{ 99166, 10, -4 },
{ 80966, 10, -4 },
{ 11474, 10, -3 },
{ 132761, 10, -4 },
{ 149027, 10, -4 },
{ -73063, 10, -4 },
{ 74976, 10, -4 },
{ 12236, 10, -3 },
{ 94639, 10, -4 },
{ 109152, 10, -4 },
{ 100975, 10, -4 },
{ 137609, 10, -4 },
{ 134461, 10, -4 },
{ -124066, 10, -4 },
{ 139017, 10, -4 },
{ 121671, 10, -4 },
{ 120768, 10, -4 },
{ 117916, 10, -4 },
{ 116695, 10, -4 },
{ 29885, 10, -4 },
{ 145256, 10, -4 },
{ 158401, 10, -4 },
{ 120396, 10, -4 },
{ 113793, 10, -4 },
{ 12887, 10, -3 },
{ -105217, 10, -4 },
{ 1094, 10, -2 },
{ 30411, 10, -4 },
{ 113896, 10, -4 },
{ 148657, 10, -4 },
{ 4902, 10, -4 },
{ 99456, 10, -4 },
{ 110087, 10, -4 },
{ -59965, 10, -4 },
{ -151353, 10, -4 },
{ 39322, 10, -4 },
{ 126458, 10, -4 },
{ 99784, 10, -4 },
{ 92396, 10, -4 },
{ 142213, 10, -4 },
{ 158501, 10, -4 },
{ 40559, 10, -4 },
{ 16098, 10, -4 },
{ -46153, 10, -4 },
{ -158958, 10, -4 },
{ -34943, 10, -4 },
{ 97082, 10, -4 },
{ -65357, 10, -4 },
{ 145613, 10, -4 },
{ 161901, 10, -4 },
{ 91774, 10, -4 },
{ -70665, 10, -4 },
{ -113945, 10, -4 },
{ -155252, 10, -4 },
{ 155458, 10, -4 },
{ -507, 10, -2 },
{ 25324, 10, -4 },
{ -118503, 10, -4 },
{ -160937, 10, -4 },
{ -163655, 10, -4 },
{ 96459, 10, -4 },
{ 76898, 10, -4 },
{ -131392, 10, -4 },
{ -113073, 10, -4 },
{ 68806, 10, -4 },
{ 4328, 10, -3 },
{ -163163, 10, -4 },
{ -172551, 10, -4 },
{ 91151, 10, -4 },
{ 51986, 10, -4 },
{ 76679, 10, -4 },
{ -117631, 10, -4 },
{ -103086, 10, -4 },
{ 50466, 10, -4 },
{ 75277, 10, -4 },
{ 115259, 10, -4 },
{ 125266, 10, -4 },
{ 119229, 10, -4 },
{ 100781, 10, -4 },
{ 106085, 10, -4 },
{ 108439, 10, -4 },
{ 101867, 10, -4 },
{ 136815, 10, -4 },
{ 109849, 10, -4 },
{ 138211, 10, -4 },
{ 146103, 10, -4 },
{ 159257, 10, -4 },
{ 15438, 10, -3 },
{ 15438, 10, -3 },
{ 159257, 10, -4 },
{ 105048, 10, -4 },
{ 148607, 10, -4 },
{ 151858, 10, -4 },
{ 117371, 10, -4 },
{ 115674, 10, -4 },
{ 109123, 10, -4 },
{ 10287, 10, -3 },
{ 94498, 10, -4 },
{ 97104, 10, -4 },
{ 121784, 10, -4 },
{ 155288, 10, -4 },
{ 162818, 10, -4 },
{ 125725, 10, -4 },
{ 150183, 10, -4 },
{ 165831, 10, -4 },
{ 167972, 10, -4 },
{ 159469, 10, -4 },
{ 109739, 10, -4 },
{ 100981, 10, -4 },
{ 100567, 10, -4 },
{ 136903, 10, -4 },
{ 108017, 10, -4 },
{ 140915, 10, -4 },
{ 99235, 10, -4 },
{ 10498, 10, -3 },
{ 171599, 10, -4 },
{ 176519, 10, -4 },
{ 169261, 10, -4 },
{ 12777, 10, -3 },
{ 126866, 10, -4 },
{ 107031, 10, -4 },
{ 84155, 10, -4 },
{ 81455, 10, -4 },
{ 137397, 10, -4 },
{ 149686, 10, -4 },
{ 137739, 10, -4 },
{ 107069, 10, -4 },
{ 136631, 10, -4 },
{ 106223, 10, -4 },
{ 86059, 10, -4 },
{ 1317, 10, -2 },
{ 142597, 10, -4 },
{ 72094, 10, -4 },
{ 149325, 10, -4 },
{ 132464, 10, -4 },
{ 107488, 10, -4 },
{ 102187, 10, -4 },
{ 96358, 10, -4 },
{ 88532, 10, -4 },
{ 92484, 10, -4 },
{ 92334, 10, -4 },
{ 88879, 10, -4 },
{ 96937, 10, -4 },
{ 69786, 10, -4 },
{ 142049, 10, -4 },
{ 15063, 10, -3 },
{ 148828, 10, -4 },
{ 114371, 10, -4 },
{ 99236, 10, -4 },
{ 124305, 10, -4 },
{ 131959, 10, -4 },
{ 136237, 10, -4 },
{ 145363, 10, -4 },
{ 94053, 10, -4 },
{ 134964, 10, -4 },
{ 130087, 10, -4 },
{ 92975, 10, -4 },
{ 77853, 10, -4 },
{ 107136, 10, -4 },
{ 143145, 10, -4 },
{ 13204, 10, -3 },
{ 12432, 10, -3 },
{ 149347, 10, -4 },
{ 152161, 10, -4 },
{ -7072, 10, -3 },
{ -72187, 10, -4 },
{ 125709, 10, -4 },
{ 146486, 10, -4 },
{ 100167, 10, -4 },
{ 91832, 10, -4 },
{ 89111, 10, -4 },
{ 108819, 10, -4 },
{ 115343, 10, -4 },
{ 109485, 10, -4 },
{ 103182, 10, -4 },
{ 96055, 10, -4 },
{ 14235, 10, -3 },
{ 112829, 10, -4 },
{ -130352, 10, -4 },
{ 131669, 10, -4 },
{ 115751, 10, -4 },
{ 118513, 10, -4 },
{ 136978, 10, -4 },
{ 56398, 10, -4 },
{ 119305, 10, -4 },
{ 34516, 10, -4 },
{ 147389, 10, -4 },
{ 14017, 10, -3 },
{ 11946, 10, -3 },
{ 115538, 10, -4 },
{ 134536, 10, -4 },
{ 132332, 10, -4 },
{ 115485, 10, -4 },
{ -144844, 10, -4 },
{ 30737, 10, -4 },
{ 109173, 10, -4 },
{ 108694, 10, -4 },
{ 105519, 10, -4 },
{ -86508, 10, -4 },
{ 172551, 10, -4 },
{ 168814, 10, -4 },
{ 10011, 10, -3 },
{ 9329, 10, -3 },
{ 98801, 10, -4 },
{ 103902, 10, -4 },
{ 110513, 10, -4 },
{ 116272, 10, -4 },
{ -60249, 10, -4 },
{ 42136, 10, -4 },
{ 44847, 10, -4 },
{ 36509, 10, -4 },
{ -20924, 10, -4 },
{ 97651, 10, -4 },
{ 136109, 10, -4 },
{ 162496, 10, -4 },
{ 39567, 10, -4 },
{ 38191, 10, -4 },
{ 8454, 10, -4 },
{ -4278, 10, -3 },
{ -164805, 10, -4 },
{ -152899, 10, -4 },
{ 22352, 10, -4 },
{ 101685, 10, -4 },
{ 101971, 10, -4 },
{ -66713, 10, -4 },
{ -59634, 10, -4 },
{ 112418, 10, -4 },
{ -9067, 10, -4 },
{ 141618, 10, -4 },
{ 168005, 10, -4 },
{ 8717, 10, -3 },
{ 86884, 10, -4 },
{ 88827, 10, -4 },
{ -168381, 10, -4 },
{ -119152, 10, -4 },
{ -161444, 10, -4 },
{ -45178, 10, -4 },
{ -5352, 10, -3 },
{ -56222, 10, -4 },
{ -123046, 10, -4 },
{ -123447, 10, -4 },
{ -96789, 10, -4 },
{ 132162, 10, -4 },
{ -15814, 10, -3 },
{ 101062, 10, -4 },
{ 101349, 10, -4 },
{ -150784, 10, -4 },
{ -109707, 10, -4 },
{ 71122, 10, -4 },
{ 34274, 10, -4 },
{ 45992, 10, -4 },
{ -7869, 10, -3 },
{ -156971, 10, -4 },
{ -162858, 10, -4 },
{ -169355, 10, -4 },
{ -175383, 10, -4 },
{ -178067, 10, -4 },
{ -169719, 10, -4 },
{ 86548, 10, -4 },
{ 86261, 10, -4 },
{ 56937, 10, -4 },
{ 82574, 10, -4 },
{ 79596, 10, -4 },
{ -112112, 10, -4 },
{ -120456, 10, -4 },
{ -123149, 10, -4 },
{ -103398, 10, -4 },
{ -96894, 10, -4 },
{ -102774, 10, -4 },
{ 164962, 10, -4 },
{ 56127, 10, -4 },
{ 53938, 10, -4 },
{ 102032, 10, -4 },
{ 92545, 10, -4 },
{ 52492, 10, -4 },
{ 82282, 10, -4 }
},
style {
annotation {
aromatic,
aromatic,
wedge-down,
wedge-down,
wedge-down,
wedge-up,
wedge-down,
wedge-up,
wedge-up,
wedge-up,
wedge-up,
aromatic,
aromatic,
wedge-up,
wedge-up,
aromatic,
aromatic,
aromatic,
wedge-down,
wedge-up,
aromatic,
aromatic,
wedge-down,
wedge-up,
aromatic,
wedge-down,
wedge-down,
wedge-up,
wedge-up,
wedge-down,
wedge-up,
wedge-up,
wedge-down,
wedge-down,
aromatic,
aromatic,
wedge-down,
wedge-down,
aromatic,
aromatic,
wedge-up,
wedge-down,
aromatic,
aromatic,
wedge-down,
wedge-down,
wedge-down,
wedge-down
},
aid1 {
57,
57,
81,
85,
86,
91,
93,
95,
100,
104,
105,
112,
112,
116,
117,
118,
118,
121,
122,
123,
125,
128,
131,
134,
135,
140,
141,
145,
149,
151,
155,
157,
161,
165,
167,
167,
171,
176,
177,
178,
180,
181,
186,
187,
190,
191,
202,
203
},
aid2 {
120,
121,
213,
220,
221,
98,
229,
102,
240,
106,
250,
118,
120,
119,
265,
121,
125,
128,
16,
133,
135,
139,
138,
142,
139,
296,
298,
153,
158,
316,
166,
323,
164,
28,
177,
178,
185,
184,
186,
187,
355,
193,
192,
192,
195,
197,
208,
211
}
}
}
}
}
},
charge 0,
props {
{
urn {
label "Compound",
name "Canonicalized",
datatype uint,
release "2019.01.04"
},
value ival 1
},
{
urn {
label "Compound Complexity",
datatype double,
implementation "E_COMPLEXITY",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value fval { 715, 10, 1 }
},
{
urn {
label "Count",
name "Hydrogen Bond Acceptor",
datatype uint,
implementation "E_NHACCEPTORS",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value ival 48
},
{
urn {
label "Count",
name "Hydrogen Bond Donor",
datatype uint,
implementation "E_NHDONORS",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value ival 39
},
{
urn {
label "Count",
name "Rotatable Bond",
datatype uint,
implementation "E_NROTBONDS",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value ival 30
},
{
urn {
label "Fingerprint",
name "SubStructure Keys",
datatype fingerprint,
parameters "extended 2",
implementation "E_SCREEN",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value binary '00000371F07FFE00700000000000000000000000000162C580003060
0000000000005801F400001E04100800000D3CE5DE06BECEF3C99200A80335F75C008280203122
2008D9A1BE6C980A76FEC2D1B394700866F611D8D807BFDFE28EA0000000000200004000000000
040000000000000000'H
},
{
urn {
label "IUPAC Name",
name "Allowed",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "3-[(1R,4S,7R,13S,16S,19S,22S,25S,28S,31R,34S,40S,43S,46S,4
9R,52S,55S,58S,61R,64S,70S,76S,79S,82R,85S,88S,91S,94S)-88-(4-aminobutyl)-76-(
2-amino-2-oxo-ethyl)-91-(carboxymethyl)-22,28-bis[(1R)-1-hydroxyethyl]-4,52,94
-tris(hydroxymethyl)-79-[(4-hydroxyphenyl)methyl]-43-(1H-indol-3-ylmethyl)-16-
isobutyl-13,25,46,85-tetraisopropyl-19,58-dimethyl-40,70-bis[(1S)-1-methylprop
yl]-3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,69,72,75,78,81,84
,87,90,93,96-triacontaoxo-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,17,20,23,26,2
9,32,38,41,44,47,50,53,56,59,62,68,71,74,77,80,83,86,89,92,95-triacontazahexac
yclo[47.47.4.47,61.431,82.034,38.064,68]octahectan-55-yl]propanoic acid"
},
{
urn {
label "IUPAC Name",
name "CAS-like Style",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "3-[(1R,4S,7R,13S,16S,19S,22S,25S,28S,31R,34S,40S,43S,46S,4
9R,52S,55S,58S,61R,64S,70S,76S,79S,82R,85S,88S,91S,94S)-88-(4-aminobutyl)-76-(
2-amino-2-oxoethyl)-40,70-bis[(2S)-butan-2-yl]-91-(carboxymethyl)-22,28-bis[(1
R)-1-hydroxyethyl]-4,52,94-tris(hydroxymethyl)-79-[(4-hydroxyphenyl)methyl]-43
-(1H-indol-3-ylmethyl)-19,58-dimethyl-16-(2-methylpropyl)-3,6,9,12,15,18,21,24
,27,30,33,39,42,45,48,51,54,57,60,63,69,72,75,78,81,84,87,90,93,96-triacontaox
o-13,25,46,85-tetra(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,17,20,
23,26,29,32,38,41,44,47,50,53,56,59,62,68,71,74,77,80,83,86,89,92,95-triaconta
zahexacyclo[47.47.4.47,61.431,82.034,38.064,68]octahectan-55-yl]propanoic acid"
},
{
urn {
label "IUPAC Name",
name "Markup",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "3-[(1R,4S,7R,13S,16S,19
S,22S,25S,28S,31R,34S,40S,43<
I>S,46S,49R,52S,55S,58S,61R,64S,70S,76S,79S,82R,85S,88S,91
S,94S)-88-(4-aminobutyl)-76-(2-amino-2-oxoethyl)-40,70-bis[(2S
I>)-butan-2-yl]-91-(carboxymethyl)-22,28-bis[(1R)-1-hydroxyethyl]-4,52,
94-tris(hydroxymethyl)-79-[(4-hydroxyphenyl)methyl]-43-(1H-indol-3-ylme
thyl)-19,58-dimethyl-16-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33,39,42,4
5,48,51,54,57,60,63,69,72,75,78,81,84,87,90,93,96-triacontaoxo-13,25,46,85-tet
ra(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,1
1,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,68,71,74,77,80,83,86,89,92,9
5-triacontazahexacyclo[47.47.4.47,61.431,82.034,38<
/SUP>.064,68]octahectan-55-yl]propanoic acid"
},
{
urn {
label "IUPAC Name",
name "Preferred",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "3-[(1R,4S,7R,13S,16S,19S,22S,25S,28S,31R,34S,40S,43S,46S,4
9R,52S,55S,58S,61R,64S,70S,76S,79S,82R,85S,88S,91S,94S)-88-(4-aminobutyl)-76-(
2-amino-2-oxoethyl)-40,70-bis[(2S)-butan-2-yl]-91-(carboxymethyl)-22,28-bis[(1
R)-1-hydroxyethyl]-4,52,94-tris(hydroxymethyl)-79-[(4-hydroxyphenyl)methyl]-43
-(1H-indol-3-ylmethyl)-19,58-dimethyl-16-(2-methylpropyl)-3,6,9,12,15,18,21,24
,27,30,33,39,42,45,48,51,54,57,60,63,69,72,75,78,81,84,87,90,93,96-triacontaox
o-13,25,46,85-tetra(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,17,20,
23,26,29,32,38,41,44,47,50,53,56,59,62,68,71,74,77,80,83,86,89,92,95-triaconta
zahexacyclo[47.47.4.47,61.431,82.034,38.064,68]octahectan-55-yl]propanoic acid"
},
{
urn {
label "IUPAC Name",
name "Systematic",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "3-[(1R,4S,7R,13S,16S,19S,22S,25S,28S,31R,34S,40S,43S,46S,4
9R,52S,55S,58S,61R,64S,70S,76S,79S,82R,85S,88S,91S,94S)-88-(4-azanylbutyl)-76-
(2-azanyl-2-oxidanylidene-ethyl)-40,70-bis[(2S)-butan-2-yl]-4,52,94-tris(hydro
xymethyl)-91-(2-hydroxy-2-oxoethyl)-79-[(4-hydroxyphenyl)methyl]-43-(1H-indol-
3-ylmethyl)-19,58-dimethyl-16-(2-methylpropyl)-22,28-bis[(1R)-1-oxidanylethyl]
-3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,69,72,75,78,81,84,87
,90,93,96-triacontakis(oxidanylidene)-13,25,46,85-tetra(propan-2-yl)-2a,3a,6a,
7a,98,99-hexathia-2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,68,
71,74,77,80,83,86,89,92,95-triacontazahexacyclo[47.47.4.47,61.431,82.034,38.06
4,68]octahectan-55-yl]propanoic acid"
},
{
urn {
label "IUPAC Name",
name "Traditional",
datatype string,
version "2.7.0",
software "Lexichem TK",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "3-[(1R,4S,7R,13S,16S,19S,22S,25S,28S,31R,34S,40S,43S,46S,4
9R,52S,55S,58S,61R,64S,70S,76S,79S,82R,85S,88S,91S,94S)-88-(4-aminobutyl)-76-(
2-amino-2-keto-ethyl)-91-(carboxymethyl)-79-(4-hydroxybenzyl)-22,28-bis[(1R)-1
-hydroxyethyl]-43-(1H-indol-3-ylmethyl)-16-isobutyl-13,25,46,85-tetraisopropyl
-3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,69,72,75,78,81,84,87
,90,93,96-triacontaketo-19,58-dimethyl-4,52,94-trimethylol-40,70-bis[(1S)-1-me
thylpropyl]-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,17,20,23,26,29,32,38,41,44,
47,50,53,56,59,62,68,71,74,77,80,83,86,89,92,95-triacontazahexacyclo[47.47.4.4
7,61.431,82.034,38.064,68]octahectan-55-yl]propionic acid"
},
{
urn {
label "InChI",
name "Standard",
datatype string,
version "1.0.6",
software "InChI",
source "iupac.org",
release "2021.05.07"
},
value sval "InChI=1S/C132H201N33O41S6/c1-19-63(13)101-131(205)164-39-2
5-30-90(164)123(197)153-85-53-208-207-52-84-118(192)149-83(51-168)116(190)151-
86-54-209-211-56-88(152-115(189)82(50-167)148-108(182)75(36-37-95(175)176)141-
105(179)65(15)138-117(85)191)121(195)159-98(60(7)8)126(200)147-78(43-70-46-135
-73-28-22-21-27-72(70)73)113(187)161-102(64(14)20-2)132(206)165-40-26-31-91(16
5)124(198)154-89(122(196)162-104(68(18)170)130(204)160-100(62(11)12)128(202)16
3-103(67(17)169)129(203)139-66(16)106(180)143-76(41-58(3)4)112(186)157-97(59(5
)6)125(199)137-47-93(173)140-84)57-212-210-55-87(119(193)144-77(42-69-32-34-71
(171)35-33-69)110(184)145-79(44-92(134)172)107(181)136-48-94(174)156-101)155-1
27(201)99(61(9)10)158-109(183)74(29-23-24-38-133)142-111(185)80(45-96(177)178)
146-114(188)81(49-166)150-120(86)194/h21-22,27-28,32-35,46,58-68,74-91,97-104,
135,166-171H,19-20,23-26,29-31,36-45,47-57,133H2,1-18H3,(H2,134,172)(H,136,181
)(H,137,199)(H,138,191)(H,139,203)(H,140,173)(H,141,179)(H,142,185)(H,143,180)
(H,144,193)(H,145,184)(H,146,188)(H,147,200)(H,148,182)(H,149,192)(H,150,194)(
H,151,190)(H,152,189)(H,153,197)(H,154,198)(H,155,201)(H,156,174)(H,157,186)(H
,158,183)(H,159,195)(H,160,204)(H,161,187)(H,162,196)(H,163,202)(H,175,176)(H,
177,178)/t63-,64-,65-,66-,67+,68+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,
85-,86-,87-,88-,89-,90-,91-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1"
},
{
urn {
label "InChIKey",
name "Standard",
datatype string,
version "1.0.6",
software "InChI",
source "iupac.org",
release "2021.05.07"
},
value sval "VOEHYNCOJOURDE-BTBSYRIQSA-N"
},
{
urn {
label "Log P",
name "XLogP3-AA",
datatype double,
version "3.0",
source "sioc-ccbg.ac.cn",
release "2021.05.07"
},
value fval { -49, 10, -1 }
},
{
urn {
label "Mass",
name "Exact",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "3097.3015548"
},
{
urn {
label "Molecular Formula",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "C132H201N33O41S6"
},
{
urn {
label "Molecular Weight",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "3098.6"
},
{
urn {
label "SMILES",
name "Canonical",
datatype string,
version "2.3.0",
software "OEChem",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "CCC(C)C1C(=O)N2CCCC2C(=O)NC3CSSCC4C(=O)NC(C(=O)NC5CSSCC(C(
=O)NC(C(=O)NC(C(=O)NC(C(=O)N6CCCC6C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1
)CC(=O)N)CC7=CC=C(C=C7)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CO)CC(=O)O)CCCC
N)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N4)C(C)C)C
C(C)C)C)C(C)O)C(C)C)C(C)O)C(C)CC)CC8=CNC9=CC=CC=C98)C(C)C)NC(=O)C(NC(=O)C(NC(=
O)C(NC3=O)C)CCC(=O)O)CO)CO"
},
{
urn {
label "SMILES",
name "Isomeric",
datatype string,
version "2.3.0",
software "OEChem",
source "OpenEye Scientific Software",
release "2021.05.07"
},
value sval "CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H]3CSSC[C@H]4C(=O
)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6CCC[
C@H]6C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(=O)N)CC
7=CC=C(C=C7)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CO)CC(
=O)O)CCCCN)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C
(=O)N[C@H](C(=O)NCC(=O)N4)C(C)C)CC(C)C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)
CC)CC8=CNC9=CC=CC=C98)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)C)CCC
(=O)O)CO)CO"
},
{
urn {
label "Topological",
name "Polar Surface Area",
datatype double,
implementation "E_TPSA",
version "3.4.8.18",
software "Cactvs",
source "Xemistry GmbH",
release "2021.05.07"
},
value fval { 129, 10, 1 }
},
{
urn {
label "Weight",
name "MonoIsotopic",
datatype string,
version "2.1",
software "PubChem",
source "ncbi.nlm.nih.gov",
release "2021.05.07"
},
value sval "3096.2982000"
}
},
count {
heavy-atom 212,
atom-chiral 32,
atom-chiral-def 32,
atom-chiral-undef 0,
bond-chiral 0,
bond-chiral-def 0,
bond-chiral-undef 0,
isotope-atom 0,
covalent-unit 1,
tautomers -1
}
}
}