RDKit 3D 99101 0 0 0 0 0 0 0 0999 V2000 -2.3089 -5.6190 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 -5.5142 -1.4820 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3100 -6.2884 -2.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 -4.1739 -2.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 -3.1993 -1.1892 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3677 -1.9718 -1.9596 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 -0.7651 -1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4449 0.2962 -1.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -0.4657 -0.9086 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5126 -1.5569 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -0.9865 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 -2.1068 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 -1.7842 0.4955 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 -0.5876 1.0844 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0126 -2.7673 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 -3.3919 -0.5517 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6736 -3.0986 1.7306 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 0.0668 0.4272 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1753 1.3911 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 1.6824 2.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 2.5823 -0.1161 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2174 3.4560 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 4.6791 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.7520 -1.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 5.9707 -2.3952 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 6.7443 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 8.0653 -1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 8.6093 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6465 7.8224 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 6.5218 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 5.9404 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 3.2117 -0.0104 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 2.6269 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 3.0664 -0.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.5195 0.8135 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5048 2.1509 2.1172 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0143 1.1484 3.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6126 3.1257 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 0.9272 0.1665 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2727 -0.3191 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 -0.2776 -1.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1908 -1.6748 0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3272 -1.8684 1.1363 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6543 -1.7164 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -3.1681 1.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 -2.0299 0.6545 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9731 -2.9666 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4669 -3.7332 1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 -4.6832 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 -6.3504 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -6.0997 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 -6.0732 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 -6.0307 -3.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3541 -5.9185 -2.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -7.3634 -2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 -3.7014 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -4.3166 -2.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -3.7063 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 -1.9758 -2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 0.3799 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 -2.4146 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 -1.7973 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 -0.1195 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 -0.8238 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -2.3829 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 -3.0370 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 -0.2000 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1374 -4.1105 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8117 -4.0719 2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0536 -2.3355 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 -0.6740 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 2.2420 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1772 2.8886 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 3.8012 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 3.9193 -2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 6.3340 -3.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 8.6494 -2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 9.6360 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 8.2115 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 5.8751 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 4.2676 0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 0.7990 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 2.7368 2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 0.1737 3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 1.5641 4.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 1.0505 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 3.8176 2.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6055 2.6015 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 3.7367 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0048 1.5882 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -2.4221 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 -1.0327 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4451 -1.0880 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4125 -1.1795 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -2.6954 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9293 -3.0851 2.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2899 -3.4731 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -3.9624 1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.4735 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 9 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 21 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 35 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 42 46 1 0 46 47 1 0 47 48 2 0 47 5 1 0 31 23 1 0 31 26 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 1 3 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 1 6 59 1 0 9 60 1 6 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 14 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 21 72 1 6 22 73 1 0 22 74 1 0 24 75 1 0 25 76 1 0 27 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 32 81 1 0 35 82 1 1 36 83 1 1 37 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 38 89 1 0 39 90 1 0 42 91 1 6 43 92 1 1 44 93 1 0 44 94 1 0 44 95 1 0 45 96 1 0 45 97 1 0 45 98 1 0 46 99 1 0 M END