RDKit 3D 104108 0 0 0 0 0 0 0 0999 V2000 -2.4099 -2.0892 -4.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -3.1382 -4.3128 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 -3.4433 -2.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 -2.7502 -1.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 -3.0804 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -4.1122 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 -4.4742 1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -3.6647 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -2.3077 1.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 -1.4924 2.1967 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1378 -0.8520 3.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 0.3960 3.1334 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5949 0.4819 4.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 1.7086 3.9981 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7177 2.9153 4.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 2.8219 4.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 4.2148 4.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4284 4.7621 4.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 4.3393 3.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 5.3514 3.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9422 5.1018 2.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3003 3.8041 2.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5908 3.5611 2.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3992 2.7945 2.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7613 1.4893 2.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9353 0.3651 2.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1236 3.0739 3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 0.6352 1.6852 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3974 1.8475 1.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 0.6643 0.9263 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4556 0.8684 -0.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 2.0009 -0.9234 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0011 2.7636 -1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 3.6058 -2.4190 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6966 4.8432 -2.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 5.4603 -0.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 4.0314 -2.7934 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7718 5.3280 -2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6551 3.1650 -2.2643 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7289 3.0918 -3.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0244 1.7827 -2.0224 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3500 1.4353 -3.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 -0.6261 1.1710 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6667 -0.4243 1.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5944 -1.0149 0.7011 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3744 -0.0456 0.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -0.3978 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0345 -1.7678 -0.1879 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4580 -2.7500 -0.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 -2.0763 1.2739 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4185 -1.1369 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 -2.1025 1.4507 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8663 -3.3643 1.0296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -4.8181 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6565 -4.4674 -2.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0799 -5.1900 -3.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4841 -2.3268 -4.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -1.1379 -4.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 -1.9308 -5.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 -1.9511 -2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 -2.5241 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -5.5528 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 -4.2131 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -3.8916 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 -3.8792 2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 -2.2089 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 1.1228 3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -0.3375 3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 0.2951 5.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 5.0176 4.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 5.9080 4.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4302 6.3871 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6515 5.9237 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8689 2.5955 1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2748 0.3973 3.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6347 -0.5020 2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 0.0942 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 2.2596 3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 -0.1405 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 1.7812 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 1.4758 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5558 2.6056 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 3.1515 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 5.5317 -3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 4.4481 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 6.4481 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7031 4.0897 -3.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 5.4791 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 3.5805 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5592 3.4270 -2.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 1.1125 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 0.8448 -3.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -1.2258 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -1.4969 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 0.3279 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -0.3304 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1318 -1.7853 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -2.2539 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -3.0787 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2309 -0.7543 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -2.0623 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6935 -3.9711 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -5.6286 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -4.9478 -4.4764 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 2 0 6 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 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 12 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 30 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 6 54 1 0 54 55 2 0 55 56 1 0 55 3 1 0 43 10 1 0 52 45 1 0 27 19 1 0 41 32 1 0 1 57 1 0 1 58 1 0 1 59 1 0 4 60 1 0 5 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 10 66 1 1 12 67 1 1 13 68 1 0 13 69 1 0 17 70 1 0 18 71 1 0 20 72 1 0 21 73 1 0 23 74 1 0 26 75 1 0 26 76 1 0 26 77 1 0 27 78 1 0 28 79 1 6 29 80 1 0 30 81 1 1 32 82 1 1 34 83 1 6 35 84 1 0 35 85 1 0 36 86 1 0 37 87 1 6 38 88 1 0 39 89 1 1 40 90 1 0 41 91 1 1 42 92 1 0 43 93 1 6 45 94 1 6 47 95 1 0 47 96 1 0 48 97 1 1 49 98 1 0 50 99 1 1 51100 1 0 52101 1 1 53102 1 0 54103 1 0 56104 1 0 M END