RDKit 3D 110112 0 0 0 0 0 0 0 0999 V2000 2.7535 5.7642 -5.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 4.7328 -6.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 3.4168 -5.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 2.3385 -6.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 1.0351 -5.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 0.5529 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1699 -0.7793 -4.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 -1.3945 -3.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -0.6617 -2.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 -1.3995 -1.8166 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0252 -0.6247 -0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 -0.9276 0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 -1.9082 0.5695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3677 -0.2892 1.8672 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1424 -1.2797 2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 -1.9210 2.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9716 -2.8185 3.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 -2.1448 4.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 -1.1179 4.9151 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -1.4232 5.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9157 0.2262 4.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 1.1393 4.6408 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 0.0507 2.4954 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 0.9388 3.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 1.4687 4.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 1.2980 4.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 1.6785 5.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5538 1.9796 5.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 2.4341 6.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 2.4855 8.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9348 2.9003 9.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 3.2719 9.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 3.2263 8.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 2.8024 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 2.7735 5.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 1.7868 4.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 1.3807 3.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 1.0681 2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 -1.7843 -2.5966 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6113 -2.8033 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -0.5052 -3.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -2.1837 -1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 -2.1028 -0.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -2.6609 -2.3703 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 -3.0637 -1.5223 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5099 -4.5248 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8533 -4.9849 -3.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7732 -4.1291 -3.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9606 -3.5931 -3.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5794 -2.3457 -2.3514 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -1.2969 -2.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3738 -2.1923 -1.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3689 -1.1022 -0.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2868 5.5450 -4.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 5.7736 -5.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 6.7992 -5.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 4.6199 -7.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 5.0196 -6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 3.5872 -4.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 3.1773 -5.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 2.6734 -7.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8915 2.2277 -7.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2103 0.2587 -6.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 1.1271 -5.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 0.4406 -5.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 1.3077 -4.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4128 -1.5008 -5.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.7107 -3.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3731 -2.4046 -3.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 -1.5472 -4.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 0.3864 -2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3404 -0.5603 -1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -2.3389 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2701 0.5824 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.0494 3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -0.7742 3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 -2.7005 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 -1.3065 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -3.6687 3.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 -3.2851 3.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 -1.7875 5.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 -2.9404 5.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 -0.6999 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 0.5304 4.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 -0.4101 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 2.2062 8.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3641 2.9611 10.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7027 3.6027 10.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 3.5091 8.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 2.5143 4.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 1.4435 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 0.0152 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4932 1.6862 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -2.4665 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 -3.4034 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4047 -3.6143 -3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 -0.9023 -4.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -0.0331 -3.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 0.1283 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -2.7132 -3.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 -2.9422 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3784 -4.7408 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 -5.0759 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2191 -6.0331 -3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8809 -5.0370 -3.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2253 -4.7465 -4.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -3.2814 -4.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4279 -4.3157 -2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 -3.2787 -3.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2614 -1.5174 -1.9653 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 1 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 14 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 28 36 1 0 36 37 1 0 37 38 1 0 10 39 1 0 39 40 1 0 39 41 1 0 39 42 1 1 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 2 0 37 26 2 0 52 45 1 0 34 29 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 1 14 74 1 6 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 20 83 1 0 21 84 1 0 23 85 1 0 30 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 35 90 1 0 38 91 1 0 38 92 1 0 38 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 44100 1 0 45101 1 1 46102 1 0 46103 1 0 47104 1 0 47105 1 0 48106 1 0 48107 1 0 49108 1 0 49109 1 0 51110 1 0 M END