56927874 -OEChem-03282409343D 58 59 0 1 0 0 0 0 0999 V2000 -5.0336 1.3076 0.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4035 2.6468 0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 3.5564 -0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4488 0.1318 -1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 -2.9512 -0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5521 -1.6189 -1.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 0.2503 0.0295 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2354 1.6533 0.2371 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1957 0.6064 -0.6647 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2558 2.5515 -0.4908 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8029 1.7084 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -0.5195 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 1.7547 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -1.8595 1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 2.1098 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 2.2081 -0.2009 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1419 -3.0447 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 1.2886 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -3.2189 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 1.3769 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 0.4728 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -3.8100 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 0.5145 0.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1675 -4.0097 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 -0.3785 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 -2.7273 -0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 -0.3487 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 1.9114 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7251 -0.2357 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 3.5457 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 2.1717 -2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 1.4147 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -0.6280 1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 0.0811 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.5222 -1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -1.8506 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 2.3486 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 1.9590 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7642 -3.9349 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 0.2510 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 1.5667 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -3.8971 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 -2.2825 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3649 2.4097 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 1.0859 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 3.7743 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5915 -0.5589 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 0.7495 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 -4.7784 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -3.1521 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7727 1.5481 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -4.4653 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -4.6955 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0544 -1.4295 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3731 -0.3063 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3572 -0.1004 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3711 0.2019 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 -2.1241 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 16 1 0 0 0 0 3 46 1 0 0 0 0 4 23 1 0 0 0 0 4 57 1 0 0 0 0 5 26 1 0 0 0 0 5 58 1 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M END > 56927874 > 1.2 > 1 77 109 126 110 71 102 41 12 97 105 28 75 57 123 60 100 88 68 76 58 26 130 9 59 129 40 46 104 18 49 33 72 95 85 128 63 120 114 47 116 113 89 78 27 10 96 42 7 36 112 115 37 70 125 19 83 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18264207096421328475 14866123 147 18340759442707256262 16719943 64 18411133632728955914 19930381 70 18122628245816301851 20721686 56 18340765924039726694 21344244 246 18340472375777773367 238918 7 18201726175815618934 3383291 50 18342167916864943395 338550 245 18262805180899494404 373842 8 18265890268772806690 5085150 59 18339910567631485770 508706 21 18411704326223822470 532947 4 18269275664398819991 > 499.85 13.31 5.28 1.19 26.21 4.41 0.03 -4.05 -2.33 -3.67 0.88 -0.42 0.44 1.38 > 998.054 > 295.3 > 2 5 10 $$$$