RDKit 3D 118121 0 0 0 0 0 0 0 0999 V2000 -11.2131 -1.0374 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6425 -0.2774 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2414 -0.5428 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6558 -1.6162 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -1.9036 0.5856 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2245 -2.3579 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 -0.7152 0.7526 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3481 -0.2125 2.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9404 0.1454 2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 0.2359 1.2538 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7622 0.1823 1.3370 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2638 1.4296 1.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 1.9134 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 1.2666 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0223 1.9048 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 1.1048 -0.9360 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6611 1.8885 -1.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 1.5104 -1.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3103 0.4440 -1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 2.3244 -2.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2762 1.7772 -3.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 0.3502 -3.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 0.1987 -3.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0840 0.0587 -2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3402 -0.1271 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 -0.3008 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 -0.5360 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0427 0.0088 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3034 -0.1400 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 -0.9359 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9351 -0.3610 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6352 0.9632 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6854 0.7040 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5600 0.4718 1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6243 0.1740 2.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3979 -0.5985 3.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7724 -1.0222 4.6042 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.5665 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 -0.5518 -1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -0.0559 0.0683 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4536 -1.0252 1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 0.0771 -0.0767 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8602 -1.0127 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3656 -0.9232 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8538 -0.9842 0.5588 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4395 -2.2779 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4297 0.8727 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8721 0.5565 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7687 0.4208 -2.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7549 1.0099 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5624 1.3915 2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6595 -1.8832 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2143 -0.9450 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6177 0.3608 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2401 -0.9482 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7843 -1.3974 2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1895 -2.5551 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8422 -2.7193 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5433 -3.2111 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2576 -2.7113 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0126 -1.5354 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 0.1383 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6921 -1.0053 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9825 0.6966 2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8758 1.0597 3.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -0.6597 3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5777 1.1281 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 -0.6680 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 1.2925 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9995 2.2562 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 2.8921 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 2.9069 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 2.0814 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 0.1941 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 3.3366 -2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 2.2903 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0641 2.4338 -4.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 1.8647 -4.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0525 -0.3453 -3.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9892 0.0988 -4.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3314 -1.2190 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2384 0.6708 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7241 0.9107 1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1181 -0.5148 2.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9253 -1.9512 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1271 -1.2237 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7781 -1.0590 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2115 -0.2510 -1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8789 1.6956 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0826 1.3029 -1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6097 0.5780 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4078 -0.9895 3.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 1.3539 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 0.0828 -2.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 -1.1915 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 -1.2110 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -0.5172 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -1.9284 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 -1.3578 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 1.0485 -0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -2.0289 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5822 -0.8259 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7025 -1.8546 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7208 -0.0252 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 -3.1044 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3868 -2.3833 1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 -2.4509 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8662 1.7717 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5457 1.3891 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4960 -0.3824 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 0.9527 -3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8060 0.8677 -2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6151 -0.6553 -2.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3718 0.0992 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2807 1.8585 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5089 1.2106 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7046 2.5194 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3169 0.9038 2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 49 48 1 0 48 47 1 0 47 50 1 0 50 51 1 0 47 2 1 0 2 1 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 38 1 0 38 39 1 0 39 40 1 0 40 41 1 1 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 1 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 3 0 24 25 1 0 25 26 3 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 3 0 34 35 1 0 35 36 2 0 36 37 1 0 45 7 1 0 45 10 1 0 42 11 1 0 40 14 1 0 49111 1 0 49112 1 0 49113 1 0 48109 1 0 48110 1 0 47108 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 51118 1 0 1 52 1 0 1 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 1 6 59 1 0 6 60 1 0 6 61 1 0 7 62 1 6 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 6 11 68 1 1 12 69 1 0 12 70 1 0 13 71 1 0 15 72 1 0 15 73 1 0 16 74 1 1 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 42100 1 6 43101 1 0 43102 1 0 44103 1 0 44104 1 0 46105 1 0 46106 1 0 46107 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 27 81 1 0 28 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 35 91 1 0 36 92 1 0 M END