RDKit 3D 102105 0 0 0 0 0 0 0 0999 V2000 9.5587 -1.3078 1.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8233 -0.2727 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0369 1.0466 2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8177 -0.4296 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 0.5692 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -1.7932 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 -0.1132 0.8059 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0869 -1.1307 1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4126 -0.1952 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 0.0909 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 0.0229 -0.9295 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9539 -1.3487 -1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 0.3028 -0.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6600 1.7003 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 2.1719 0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 0.9841 -0.1412 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7253 0.0624 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 1.2311 -0.8553 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6775 2.2425 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 2.0592 -0.6977 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9299 3.0780 -0.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5521 3.8632 -1.7428 S 0 0 0 0 0 6 0 0 0 0 0 0 -7.0457 3.9391 -1.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3019 3.1301 -3.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 5.4440 -1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5649 0.7456 -0.1257 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0464 0.6151 -0.1066 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6134 0.8761 -1.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 -0.7319 0.4051 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3271 -0.5276 1.4795 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8446 -1.1170 1.1623 S 0 0 0 0 0 6 0 0 0 0 0 0 -8.8505 -2.3152 0.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4559 -1.5304 2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7954 0.1344 0.5746 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 -1.5678 0.9299 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8149 -2.8873 1.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -3.4221 2.5981 S 0 0 0 0 0 6 0 0 0 0 0 0 -6.2801 -2.3557 3.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -4.0877 3.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1343 -4.5929 2.6679 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 -1.6366 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8643 -0.4114 -0.7776 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4520 -0.7180 -2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 -0.1143 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -1.0878 -1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -0.9394 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 0.3614 -1.1366 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7110 1.2976 -2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -1.2073 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 -2.2967 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3081 0.8294 3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8243 1.6399 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 1.6572 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3129 0.5291 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9193 1.5887 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 0.2775 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 -2.6092 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3623 -1.8907 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9995 -1.9375 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 0.8850 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 -2.1506 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9166 -1.0498 2.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 -0.8399 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 -1.2320 -0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6747 0.5807 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 1.1149 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -0.6806 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 0.7487 -1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -1.3392 -2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9567 -1.6493 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -2.1352 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 -0.3922 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 1.6731 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 2.4175 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 3.1040 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 2.3978 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4245 -0.9761 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 0.0977 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 0.3979 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6688 1.5959 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 3.2298 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 2.0126 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9623 1.9194 -1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6136 5.7449 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2267 0.7455 0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4379 1.4519 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1515 0.0948 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0312 -1.2512 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2926 0.8594 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0934 -1.2105 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2741 -5.0136 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0575 -2.5745 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2141 -1.7247 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6543 0.2077 -2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3161 -1.4021 -2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 -1.2610 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 -2.0889 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3649 -1.8328 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -1.0116 -2.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 2.3598 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6761 1.1202 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 1.1418 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 11 10 1 0 10 9 1 0 9 7 1 0 7 8 1 0 7 4 1 0 4 5 1 0 4 6 1 0 4 2 1 0 2 3 1 0 2 1 2 3 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 25 1 0 22 23 2 0 22 24 2 0 20 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 34 1 0 31 32 2 0 31 33 2 0 29 35 1 0 35 41 1 0 41 42 1 0 42 43 1 6 42 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 6 35 36 1 0 36 37 1 0 37 40 1 0 37 38 2 0 37 39 2 0 47 13 1 0 47 16 1 0 44 18 1 0 42 26 1 0 12 69 1 0 12 70 1 0 12 71 1 0 11 68 1 6 10 66 1 0 10 67 1 0 9 64 1 0 9 65 1 0 7 60 1 1 8 61 1 0 8 62 1 0 8 63 1 0 5 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 6 59 1 0 3 51 1 0 3 52 1 0 3 53 1 0 1 49 1 0 1 50 1 0 13 72 1 1 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 17 77 1 0 17 78 1 0 17 79 1 0 18 80 1 6 19 81 1 0 19 82 1 0 20 83 1 6 25 84 1 0 26 85 1 1 27 86 1 1 28 87 1 0 29 88 1 6 34 89 1 0 35 90 1 1 41 92 1 0 41 93 1 0 43 94 1 0 43 95 1 0 43 96 1 0 45 97 1 0 46 98 1 0 46 99 1 0 48100 1 0 48101 1 0 48102 1 0 40 91 1 0 M END