RDKit 3D 106108 0 0 0 0 0 0 0 0999 V2000 -5.6366 2.7115 2.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 2.5058 1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 1.8785 1.5860 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7362 2.7245 2.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1874 1.5056 0.1879 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8863 0.9158 0.3616 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 1.0884 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 0.0500 -0.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0991 2.3173 -0.5955 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7093 3.5296 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 4.7538 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 5.2227 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 5.9389 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 2.4591 0.6075 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.8333 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2146 1.4370 2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 1.5704 0.0537 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6797 2.7317 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 1.9850 -1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 0.8438 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 0.4051 -0.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9151 -0.8876 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -1.6638 -1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 -1.4675 0.9931 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3509 -2.5083 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5541 -1.8814 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 -1.7823 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8239 -1.1963 -1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8256 -0.6917 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9555 -0.0996 -1.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6933 -0.7813 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 -1.3670 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 -1.9745 1.7341 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -3.3287 2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 -3.6692 3.1899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 -4.4318 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -5.3762 1.2775 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5899 -4.9700 1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 -5.7057 2.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 -3.7689 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 -3.8904 1.0352 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 -2.8349 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5494 -2.7311 1.6586 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -1.8448 -0.3052 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6456 -2.5270 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9591 -3.2180 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 -3.8907 -3.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1675 -2.3237 -1.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 -0.7799 -0.1172 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 0.5964 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0296 1.1502 -1.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4137 3.7334 3.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7394 2.5465 2.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1627 1.9703 3.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 3.4479 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7323 1.7692 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 0.9457 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6974 2.4086 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 2.5799 3.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9301 3.7901 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 2.4107 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 0.2403 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7764 2.1163 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 3.4326 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3396 3.7278 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7728 4.5773 -1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 6.2507 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 4.6142 0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 5.4269 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 5.8321 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 6.8295 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6324 6.1143 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 3.1001 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2026 1.3899 0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 3.2278 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 3.4051 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 1.6553 -1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 2.6142 -2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 1.1882 -2.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 0.0890 -2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.6695 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 -3.0206 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 -3.2741 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 -2.1765 -1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -1.1280 -2.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 0.2741 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 -0.3922 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.4230 2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 -1.2445 2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 -4.1192 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 -5.0041 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -6.4096 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -3.6815 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.8401 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 -4.8286 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -1.4696 -0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.7045 -2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 -3.1923 -1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0799 -4.0515 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2224 -4.7327 -3.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9475 -4.3273 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7203 -3.1309 -3.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8411 -2.6113 -2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9578 -1.2561 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7744 -2.4954 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3242 -1.0871 0.2876 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 3 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 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 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 29 31 1 0 31 32 2 0 24 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 44 49 1 0 49 50 1 0 50 51 2 0 50 5 1 0 21 17 1 0 32 26 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 1 4 58 1 0 4 59 1 0 4 60 1 0 5 61 1 6 6 62 1 0 9 63 1 6 10 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 17 74 1 1 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 1 25 82 1 0 25 83 1 0 27 84 1 0 28 85 1 0 30 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 40 93 1 0 40 94 1 0 41 95 1 0 44 96 1 6 45 97 1 0 45 98 1 0 46 99 1 0 47100 1 0 47101 1 0 47102 1 0 48103 1 0 48104 1 0 48105 1 0 49106 1 0 M END