RDKit 3D 113115 0 0 0 0 0 0 0 0999 V2000 3.5730 2.5755 1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 1.1195 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 0.3255 0.9149 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7171 0.3171 1.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 0.9754 1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3504 1.5713 0.6314 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 0.8989 2.8045 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4472 -0.3756 3.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -1.6483 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -2.0589 2.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -1.4921 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 -1.6151 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 -0.5585 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -2.7518 -0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 -3.5502 -0.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -3.3414 -2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -3.0225 -3.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 -1.8401 -3.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -0.8855 -4.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -1.6083 -5.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 -0.7255 -6.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -0.2461 -6.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 -1.3645 -6.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -2.1953 -7.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 -3.1100 -8.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -1.9738 -8.9349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 1.3597 2.4771 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6097 1.8534 3.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 1.9169 4.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 2.3097 2.9260 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0924 2.1407 1.4964 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 3.2422 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 3.4650 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 4.7532 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 5.0329 -2.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 4.0352 -3.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 2.7680 -2.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 2.4706 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 1.1804 -1.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 4.2790 1.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1182 3.8040 3.0773 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2217 4.4246 4.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1111 -1.0113 0.4317 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0579 -0.9785 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 -1.9724 1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -1.6013 2.3467 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 -3.1775 1.4923 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -4.2637 2.3099 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0362 -4.0139 3.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -3.3993 4.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -4.4619 5.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -5.2022 4.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 -5.8124 3.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -7.1256 3.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -5.3218 2.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 -5.8212 1.1728 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 3.1076 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 2.6538 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 2.9716 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5101 0.7110 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 1.1387 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3019 0.8998 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 1.6623 3.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.3395 4.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6103 -0.4084 3.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -2.4581 3.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 -1.7898 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 -3.2044 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -2.0831 3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -0.4921 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 -2.1505 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8529 0.0428 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 -4.3374 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 -3.7256 -3.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 -1.3326 -2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -2.2931 -3.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5365 -0.4814 -4.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -0.0750 -4.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 -2.0254 -5.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -2.4499 -5.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 0.1418 -6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -1.3207 -7.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.4412 -5.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2436 0.3692 -7.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 -2.0051 -5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0861 -0.8915 -6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8009 -1.6707 -8.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 2.4841 4.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 1.8224 3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 5.5390 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 6.0494 -2.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 4.2909 -4.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6251 1.9405 -3.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5227 0.7455 -0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1489 4.1073 3.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 4.4244 3.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 5.4972 4.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 3.9982 5.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 -1.4696 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 -0.6557 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -2.0552 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 -0.4470 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 -1.2682 3.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -4.7955 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2742 -5.0213 4.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 -3.4624 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -2.7416 4.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -2.7777 5.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 -5.1323 5.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 -3.9388 6.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 -4.5601 4.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 -6.0046 5.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7624 -7.1757 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 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 12 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 26 1 0 24 25 2 0 7 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 2 0 32 40 1 0 40 41 1 0 41 42 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 3 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 2 0 41 30 1 0 38 33 1 0 55 48 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 6 7 63 1 1 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 13 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 26 87 1 0 29 88 1 0 30 89 1 1 41 95 1 1 42 96 1 0 42 97 1 0 42 98 1 0 34 90 1 0 35 91 1 0 36 92 1 0 37 93 1 0 39 94 1 0 43 99 1 6 44100 1 0 44101 1 0 44102 1 0 46103 1 0 48104 1 6 49105 1 0 49106 1 0 50107 1 0 50108 1 0 51109 1 0 51110 1 0 52111 1 0 52112 1 0 54113 1 0 M END