RDKit 3D 92 98 0 0 0 0 0 0 0 0999 V2000 4.8799 4.1680 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 3.7563 1.9542 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2681 2.4389 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 1.6096 2.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 0.3040 1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -0.2135 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 0.6490 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 1.9618 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8828 3.0145 -0.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 2.9298 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 3.1112 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8346 3.0020 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 2.7174 -1.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 2.5394 -2.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 2.6546 -2.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 2.5042 -2.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 1.0002 -2.0305 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1161 0.5560 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 0.8774 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 0.5561 1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0141 0.8736 1.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3556 2.0444 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -0.1000 1.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1837 -0.4604 3.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7596 -1.7429 3.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 -0.4169 1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 -1.0864 2.4121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.3813 3.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 -0.1311 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9575 -0.4405 -0.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 -1.1407 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 -1.3573 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -2.0912 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -2.6218 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5216 -2.4324 -2.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -1.6930 -1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -1.5583 -2.8675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -2.0995 -4.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -3.4107 -1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -4.1858 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -3.9570 0.7472 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -4.4192 1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -2.5212 0.9705 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6792 -1.6856 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 1.5890 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 1.2583 -2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0166 0.6338 -2.7744 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 0.3271 -4.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9755 3.9808 3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 3.6007 3.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7034 5.2596 3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5477 1.9377 3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 -0.3625 2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 0.2923 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 3.3724 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 3.1745 0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 2.3087 -3.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 2.4906 -2.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 2.7924 -3.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 3.1015 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9983 0.5182 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0274 2.6442 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4907 2.6839 2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9958 1.8528 3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7093 -1.8678 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9847 -1.9766 4.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 -2.5025 2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 0.0827 4.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 0.3673 2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4632 -1.1353 3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 -0.8672 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 -2.8497 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 -3.2013 -4.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -1.7426 -4.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1364 -1.6795 -4.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -2.8283 -2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2893 -4.2162 -2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 -5.3085 -0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 -4.0151 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 -5.3280 2.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -3.6251 2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 -4.7477 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 -2.5043 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -2.0259 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2147 -2.0235 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4035 1.2188 -0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4402 2.6668 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 0.5424 -2.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4404 2.1419 -3.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 0.1121 -4.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5134 -0.4884 -4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1071 1.2237 -4.7532 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 44 1 0 44 43 1 0 43 41 1 0 41 42 1 0 41 40 1 0 40 39 1 0 39 34 1 0 34 33 2 0 33 32 1 0 32 31 2 0 31 30 1 0 30 29 1 0 29 26 2 0 26 27 1 0 27 28 1 0 26 23 1 0 23 24 1 0 24 25 1 0 23 20 2 0 20 21 1 0 21 22 1 0 20 19 1 0 19 18 2 0 18 17 1 0 17 16 1 0 16 13 1 0 13 12 2 0 12 11 1 0 11 10 2 0 10 9 1 0 9 8 1 0 8 7 2 0 10 15 1 0 15 14 2 0 17 47 1 0 47 48 1 0 47 46 1 0 46 45 1 0 31 36 1 0 36 37 1 0 37 38 1 0 36 35 2 0 8 3 1 0 7 6 1 0 33 43 1 0 18 29 1 0 14 13 1 0 35 34 1 0 45 19 1 0 1 49 1 0 1 50 1 0 1 51 1 0 4 52 1 0 5 53 1 0 44 84 1 0 44 85 1 0 43 83 1 1 42 80 1 0 42 81 1 0 42 82 1 0 40 78 1 0 40 79 1 0 39 76 1 0 39 77 1 0 32 71 1 0 28 68 1 0 28 69 1 0 28 70 1 0 25 65 1 0 25 66 1 0 25 67 1 0 22 62 1 0 22 63 1 0 22 64 1 0 17 61 1 6 16 59 1 0 16 60 1 0 12 56 1 0 11 55 1 0 7 54 1 0 15 58 1 0 14 57 1 0 48 90 1 0 48 91 1 0 48 92 1 0 46 88 1 0 46 89 1 0 45 86 1 0 45 87 1 0 38 73 1 0 38 74 1 0 38 75 1 0 35 72 1 0 M END