RDKit 3D 122126 0 0 0 0 0 0 0 0999 V2000 -9.7564 0.0882 3.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7409 0.4004 2.6009 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8297 -0.6873 2.4802 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8233 -1.7400 1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0675 -2.7495 1.7246 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6634 -1.8108 0.3030 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0235 -2.2263 0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0983 -2.6331 -0.7121 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9731 -3.2646 -1.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7069 -2.8944 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3437 -4.1121 -0.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6595 -1.8253 -0.8523 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6188 -1.1186 -2.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 -1.4592 -2.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0462 -2.8332 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3165 -2.4126 -0.6966 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 -2.4788 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 -3.6757 0.9431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -1.4245 1.3115 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4317 -0.2899 0.5671 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -0.2869 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3743 -1.2840 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5556 0.9206 -0.5721 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1800 1.3779 -1.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 0.6682 -3.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 1.4766 -4.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 0.9446 -5.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -0.4013 -5.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 -1.2118 -4.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 -0.6408 -3.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 0.6891 -0.6695 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 1.6934 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 2.7772 0.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 1.5324 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8683 0.3692 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 0.3958 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 0.3929 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 0.4208 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6397 -0.6545 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -0.4802 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 -1.4631 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 -1.1871 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3058 -2.0591 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6891 -1.6392 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5975 -2.4910 0.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9572 -0.3295 0.6339 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1915 0.2130 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4174 1.4903 1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5460 2.5536 1.4157 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8610 1.6047 1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0195 0.1916 2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4396 -0.5642 1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8873 -1.5402 0.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -0.8440 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 0.5816 2.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 1.4720 2.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 2.2855 3.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 1.5487 1.7240 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5490 2.3138 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9528 3.7208 0.7280 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9980 4.1389 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6400 3.6941 2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9932 2.2883 2.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1525 1.7317 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 2.4471 3.7018 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0414 -0.9836 3.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6934 0.6741 3.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3550 0.4437 4.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3865 0.5290 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0449 -0.7150 3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7621 -0.7945 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6223 -2.8511 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6455 -1.3592 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8999 -2.8661 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9004 -3.6557 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1913 -2.5327 -2.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3943 -4.0598 -2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9155 -1.0998 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -1.4825 -2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7587 -0.0014 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2413 -1.5275 -3.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5257 -0.7484 -2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0899 -3.2702 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8188 -3.4833 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -1.8925 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 0.5305 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 1.7637 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 1.5622 -1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 2.4784 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 2.5446 -4.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5014 1.5179 -6.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 -0.9196 -6.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 -2.2894 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 -1.3098 -2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3006 -0.1670 -1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 2.3328 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 -0.4157 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4151 -0.9840 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3405 1.7396 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4432 1.2996 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1487 -1.5469 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 0.4833 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5743 -2.4324 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5779 -0.1822 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1172 -3.0530 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1684 0.4022 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7822 2.5469 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5428 1.6610 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0249 2.3544 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0391 -0.0724 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3597 0.0713 3.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8488 -1.1797 2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 -1.1285 3.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 0.5447 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1701 1.9226 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4736 2.3060 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0891 4.4371 0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7664 5.0988 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0382 3.3984 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0170 4.1675 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5018 4.3523 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 4.0099 2.8175 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 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 23 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 2 3 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 19 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 64 2 1 0 16 12 1 0 30 25 1 0 52 47 1 0 63 58 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 6 3 70 1 0 6 71 1 6 7 72 1 0 7 73 1 0 7 74 1 0 9 75 1 0 9 76 1 0 9 77 1 0 12 78 1 1 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 1 20 86 1 0 23 87 1 1 24 88 1 0 24 89 1 0 26 90 1 0 27 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 41103 1 0 42104 1 0 43105 1 0 46106 1 0 49107 1 0 50108 1 0 50109 1 0 51110 1 0 51111 1 0 54112 1 0 54113 1 0 58114 1 6 59115 1 0 59116 1 0 60117 1 1 61118 1 0 61119 1 0 61120 1 0 62121 1 0 62122 1 0 M END