11575365 -OEChem-04182422563D 50 54 0 1 0 0 0 0 0999 V2000 -5.1964 -2.3066 1.7224 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 -2.3155 0.8867 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 -0.6349 2.0973 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.4579 0.1141 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 2.2472 1.4244 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 2.7284 1.5602 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 0.7024 -1.9454 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 0.7232 0.4582 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2922 1.9303 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 1.5464 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -0.5236 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7052 0.4910 -1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -0.6443 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 -1.5998 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -1.8266 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 1.2053 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2233 -2.7724 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0915 -2.8855 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 0.8934 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 1.6989 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 -0.1801 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 0.3329 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 1.3987 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -0.4576 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5609 2.9462 1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9822 0.0540 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 -0.8053 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0811 -1.0131 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 -1.5026 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5546 -0.3642 -1.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6851 0.4757 -2.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 0.9735 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2103 2.3149 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 2.7559 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 2.4312 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 1.1671 -2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 0.9619 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 0.1011 -2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -0.0080 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -1.5277 1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9172 -1.9263 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1158 -3.5959 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6653 -3.7962 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 -0.8304 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 2.0131 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -1.2920 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7682 3.7767 2.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7483 -1.6756 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 -0.5110 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 1.0053 -3.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 5 16 2 0 0 0 0 5 25 1 0 0 0 0 6 20 1 0 0 0 0 6 25 2 0 0 0 0 7 26 1 0 0 0 0 7 31 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 2 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M END > 11575365 > 0.8 > 1 36 18 28 12 29 14 5 35 37 32 33 27 11 20 24 31 22 21 25 16 6 34 23 9 26 15 17 13 4 19 7 30 2 8 3 10 > 39 1 -0.34 11 -0.14 12 0.14 13 -0.14 14 -0.15 15 -0.15 16 0.41 17 -0.15 18 -0.15 2 -0.34 20 0.31 21 -0.15 23 -0.15 24 -0.15 25 0.47 26 0.31 27 -0.14 28 -0.15 29 1.16 3 -0.34 30 -0.15 31 0.16 39 0.4 4 -0.87 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 6 -0.62 7 -0.62 8 0.51 > 4.8 > 9 1 4 donor 1 7 acceptor 3 4 5 16 cation 3 5 6 25 cation 6 11 13 14 15 17 18 rings 6 19 20 21 22 23 24 rings 6 5 6 16 19 20 25 rings 6 7 26 27 28 30 31 rings 6 8 9 10 11 12 13 rings > 31 > 1 > 0 > 0 > 0 > 0 > 1 > 3 > 00B0A04500000001 > 95.087 > 45.859 > 10319926 262 13614252489767972577 10622 236 18048028580958753466 10673678 19 17752493324483155620 10928967 22 18131630088941194678 117089 54 17983305829048482214 11796584 16 17968364719343871843 11991303 11 18051421660509340465 12166972 35 18409165498198988196 12422481 6 16558481781201255444 12760667 363 18272651216498575691 12788726 201 18201166472936042312 13533116 47 18412823595196577244 13782708 43 18338788027064353967 13862211 1 17918268749105339077 13914758 101 17346882243961101233 14347332 77 18200873976751925492 15082195 135 17458354061042224644 15183329 4 17821724996772983956 15188451 53 15554438618135748213 17349148 13 16773518879715302245 17492 89 17986396590682497598 1813 80 17489594484373824464 18222031 100 17561081431839720864 19304144 158 17751353113439262572 19319366 153 18410006681003837134 20505436 4 9367046884585450660 20511986 3 9006480664675704838 21033650 10 16371001832856204444 21315764 119 17749104448449763831 21682296 61 18131632257662075039 22061861 79 18333446538761072438 23516275 100 16081938199253938324 23522609 53 17914926268138744465 23559900 14 18187076304472445117 25269216 80 15792027700646940707 2748736 6 11674877796818702886 3004659 81 18335696118699099006 312425 54 14908186330482838526 3472631 163 11819292026962769010 34797466 226 17385444362081645821 394071 54 17489017297067781416 42767 28 17749392529482223930 437795 70 16443628987213257148 5104073 3 17917713470475491200 5265222 85 17676491683150894563 6034566 193 10665241349019303512 77296 10 17531538666713351830 > 596.22 17.96 2.91 1.93 0.51 0.1 0.23 -12.11 6.86 -2.96 -1.65 1.26 0.29 0.11 > 1336.197 > 314.7 > 2 5 10 $$$$