RDKit 3D 75 78 0 0 0 0 0 0 0 0999 V2000 0.4966 1.7897 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 0.5711 -0.0555 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3328 0.2324 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 -0.9592 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 -1.0726 -0.1803 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 0.5016 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 1.0570 0.6236 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 1.1547 1.0364 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 1.1011 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6279 -0.0738 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 -0.1273 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3764 1.0138 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 2.2006 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3798 2.2514 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5723 3.3619 -0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 4.5050 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5125 -1.3360 -0.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6612 -1.5119 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -1.9684 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 -2.0800 -0.3049 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9790 -0.6994 0.2970 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4844 -0.4623 0.0040 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3199 -1.7436 0.2095 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8675 -2.8561 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 -2.7018 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -1.4821 0.0827 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6738 -2.7572 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -0.4375 1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 -0.3062 2.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4495 0.3221 0.8031 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 0.3156 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 1.4001 1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 2.6529 1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6976 3.7560 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 0.0238 -1.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -3.0718 0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 2.6520 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 2.0934 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 1.5834 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 0.8364 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 2.1346 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2574 -0.9595 0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3484 1.0191 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0656 3.0674 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0967 4.2751 -1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 5.2663 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9134 4.9220 -0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4293 -1.3328 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9844 -2.5536 -0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4856 -0.8757 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -2.9477 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -1.6388 -2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -0.8041 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 0.3243 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 -2.0931 1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9584 -3.8233 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 -2.9108 -1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 -3.6841 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -2.0820 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -1.1121 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -3.2136 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -2.5486 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -3.4972 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0947 -0.6606 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6841 1.0625 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 0.5573 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 1.1462 2.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8934 1.5201 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 2.6482 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 4.6315 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 3.8144 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 0.6041 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -3.2349 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5398 -2.6998 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -4.0496 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 11 17 1 0 17 18 1 0 4 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 22 35 1 0 20 36 1 1 21 2 1 0 7 3 1 0 14 9 1 0 25 20 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 6 8 41 1 0 10 42 1 0 12 43 1 0 13 44 1 0 16 45 1 0 16 46 1 0 16 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 21 53 1 1 22 54 1 1 23 55 1 1 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 26 60 1 6 27 61 1 0 27 62 1 0 27 63 1 0 31 64 1 0 31 65 1 0 31 66 1 0 32 67 1 0 32 68 1 0 33 69 1 0 34 70 1 0 34 71 1 0 35 72 1 0 36 73 1 0 36 74 1 0 36 75 1 0 M END