RDKit 3D 110111 0 0 0 0 0 0 0 0999 V2000 14.4625 -1.2868 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1984 -2.0959 -1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9679 -1.1944 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9609 -0.2465 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8257 0.7182 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4662 0.0965 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 -0.7510 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3636 -0.0360 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 1.1159 2.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9582 0.6933 2.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1664 1.8844 2.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 2.3388 1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 1.6983 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 1.1932 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 2.2774 0.4996 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6662 2.9645 1.7574 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 1.9931 0.2686 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5639 3.2615 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 1.1395 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 -0.2908 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.9494 -2.1095 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9902 -0.3774 -3.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 -1.1125 -2.0267 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4897 -1.9949 -3.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9946 -1.7487 -2.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9914 -0.4666 -2.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4953 -0.5506 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9262 -1.0267 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2471 -1.0525 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -1.4979 1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6509 -0.5621 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0173 -1.0506 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0887 -0.2122 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0991 1.2218 0.5771 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9619 1.9306 0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2526 1.9183 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5222 1.2668 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3671 0.6705 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5257 0.1383 0.1693 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.6515 -1.3511 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2564 0.4888 1.5017 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0446 1.1766 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5372 1.6210 2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 0.0221 -2.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3182 -1.9875 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4882 -0.5252 -1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6433 -0.8013 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2007 -2.8493 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1318 -2.6148 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1481 -0.5891 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -1.8130 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0662 -0.8170 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9004 0.3693 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9960 1.4779 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8764 1.2791 -1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7030 0.8579 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4058 -0.6025 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -1.2274 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9771 -1.5739 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 -0.7871 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4052 0.2591 2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6738 1.5648 3.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6165 1.9458 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8261 0.0400 3.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8565 0.1252 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3036 2.4253 3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7844 3.2683 2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 0.9480 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 2.5237 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 0.8577 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 0.3217 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 3.0593 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 2.2272 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 1.6235 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9072 3.7254 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 1.1798 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 1.6724 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -0.8101 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -0.5893 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -2.0077 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 0.1750 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -1.6514 -1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 -3.0551 -2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -1.6264 -4.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -2.5865 -2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4149 -1.5925 -3.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5767 0.3110 -2.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4732 0.4775 -0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 -1.1790 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1019 -2.0292 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5589 -0.2431 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 -0.0838 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5423 -1.8007 1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7686 -1.5421 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7652 -2.5242 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4929 -0.5339 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4735 0.4195 0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1777 -2.1051 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1213 -1.0860 1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0366 -0.3364 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0880 -0.6482 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2747 1.2932 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9316 2.7574 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0942 1.8442 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2802 2.9952 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2230 0.5899 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4432 0.6691 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7189 -1.6566 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3367 -1.6310 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9716 -1.8623 0.7087 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 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 26 44 1 0 44 23 1 0 42 37 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 6 16 73 1 0 17 74 1 1 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 6 22 81 1 0 23 82 1 1 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 87 1 6 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 1 35103 1 0 36104 1 0 36105 1 0 38106 1 0 39107 1 6 40108 1 0 40109 1 0 40110 1 0 M END