RDKit 3D 130129 0 0 0 0 0 0 0 0999 V2000 -0.8617 -1.8143 3.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -2.7300 2.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -1.8992 1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 -2.7419 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -3.5957 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -3.1864 -1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -3.4946 -1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -4.2795 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -3.8891 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 -3.3490 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8263 -2.8900 1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 -1.5241 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -0.4200 1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -0.2301 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 0.7479 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4462 2.0767 0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 3.1941 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3238 3.0993 -1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 4.0857 -1.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0092 2.0960 -2.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 2.1404 -3.6520 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0684 2.2045 -4.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 1.0916 -4.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 0.8521 -4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 1.6447 -5.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -0.3771 -4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -0.1054 -3.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 1.0208 -3.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1497 1.3388 -1.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 1.7671 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 2.1403 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6732 2.5825 1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1505 3.0096 2.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 1.8849 3.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3442 2.3596 4.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 2.8826 5.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 1.9299 6.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 0.7085 6.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 -0.1981 7.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0807 -1.4397 7.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 1.1122 -4.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -0.2026 -4.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -1.2414 -4.6228 P 0 0 1 0 0 5 0 0 0 0 0 0 2.8449 -2.6151 -4.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 -1.3642 -6.3050 O 0 0 0 0 0 1 0 0 0 0 0 0 4.6495 -0.7031 -4.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 -1.7650 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -1.4261 -3.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 -0.5463 -2.7538 N 0 0 0 0 0 4 0 0 0 0 0 0 7.1737 -1.1809 -1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 0.0286 -2.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2257 0.5779 -2.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -0.7448 3.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -1.9499 3.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 -2.0696 4.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -3.2378 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -3.4487 3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 -1.1096 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -1.4103 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 -2.0138 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 -3.3460 0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 -4.3157 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -4.3976 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 -2.5396 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6213 -3.1085 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5721 -4.3359 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -5.3538 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8741 -4.1349 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2048 -3.1944 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 -2.8555 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -3.5305 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 -1.4856 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 0.4967 1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 0.1955 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.1696 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 0.3463 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 0.8360 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 2.3143 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 2.0225 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 3.3185 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 4.1605 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 3.1389 -3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 2.1240 -5.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 3.1673 -4.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 -1.2512 -4.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.6388 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 0.0791 -2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0294 -1.0226 -2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8446 1.9133 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 0.7492 -4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7055 0.4281 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8722 2.1624 -2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 2.6219 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 0.8902 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3588 1.2659 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 2.9613 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 1.7429 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 3.4162 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 3.8859 2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 3.2991 3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2058 0.9919 3.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7247 1.5897 2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9484 1.5745 5.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 3.1960 4.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 3.8045 5.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8145 3.1931 6.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 2.4528 6.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 1.6432 5.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2368 1.0101 7.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 0.1690 6.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 0.3438 7.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -0.4711 6.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 -2.2692 7.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 -1.3513 8.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 -1.7067 7.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 1.2728 -5.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 1.2704 -3.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 -2.4507 -4.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 -2.3634 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4294 -1.0397 -4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4202 -2.3980 -3.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 -2.2529 -1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8890 -0.7018 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 -1.0447 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4409 0.6184 -3.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6705 0.6640 -2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2182 -0.7850 -2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 0.2550 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 0.9994 -3.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 1.4206 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 40 39 1 0 39 38 1 0 38 37 1 0 37 36 1 0 36 35 1 0 35 34 1 0 34 33 1 0 33 32 1 0 32 31 1 0 31 30 1 0 30 29 1 0 29 28 1 0 28 27 1 0 27 26 1 0 26 24 1 0 24 25 2 0 24 23 1 0 23 22 1 0 22 21 1 0 21 41 1 0 41 42 1 0 42 43 1 0 43 45 1 6 43 44 2 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 52 1 0 21 20 1 0 20 18 1 0 18 19 2 0 18 17 1 0 17 16 1 0 16 15 1 0 15 14 1 0 14 13 1 0 13 12 2 0 12 11 1 0 11 10 1 0 10 9 2 0 9 8 1 0 8 7 1 0 7 6 2 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 1 0 40113 1 0 40114 1 0 40115 1 0 39111 1 0 39112 1 0 38109 1 0 38110 1 0 37107 1 0 37108 1 0 36105 1 0 36106 1 0 35103 1 0 35104 1 0 34101 1 0 34102 1 0 33 99 1 0 33100 1 0 32 97 1 0 32 98 1 0 31 95 1 0 31 96 1 0 30 93 1 0 30 94 1 0 29 91 1 0 29 92 1 0 28 89 1 0 28 90 1 0 27 87 1 0 27 88 1 0 26 85 1 0 26 86 1 0 22 83 1 0 22 84 1 0 21 82 1 1 41116 1 0 41117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 50122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 17 80 1 0 17 81 1 0 16 78 1 0 16 79 1 0 15 76 1 0 15 77 1 0 14 74 1 0 14 75 1 0 13 73 1 0 12 72 1 0 11 70 1 0 11 71 1 0 10 69 1 0 9 68 1 0 8 66 1 0 8 67 1 0 7 65 1 0 6 64 1 0 5 62 1 0 5 63 1 0 4 60 1 0 4 61 1 0 3 58 1 0 3 59 1 0 2 56 1 0 2 57 1 0 1 53 1 0 1 54 1 0 1 55 1 0 M CHG 2 45 -1 49 1 M END