RDKit 3D 42 45 0 0 0 0 0 0 0 0999 V2000 5.3900 2.2897 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6716 2.2475 0.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 1.5945 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 1.0017 -0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 0.3560 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 0.2929 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 0.8905 1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7284 1.5351 1.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 2.1309 2.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -0.3730 0.4848 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3941 0.5809 0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 -0.0315 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 0.5324 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0799 0.0081 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -1.0851 0.5437 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 -1.6615 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9431 -1.1518 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -1.8309 -0.7295 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5436 -3.1753 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -1.0792 -0.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 -0.3816 -1.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -0.2657 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8008 2.7998 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3127 2.8673 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 1.2659 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 1.0334 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 0.8514 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 2.1384 3.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 -1.1301 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3364 1.5756 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1991 0.7779 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 1.4123 2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9507 0.4262 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 -2.5418 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 -2.0226 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -3.5031 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 -3.0205 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -3.9639 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.0444 -2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 0.5925 -2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 -1.2725 -2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 0.3336 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 8 3 1 0 20 10 1 0 22 5 1 0 17 12 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 7 27 1 0 9 28 1 0 10 29 1 1 11 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 16 34 1 0 18 35 1 6 19 36 1 0 19 37 1 0 19 38 1 0 21 39 1 0 21 40 1 0 22 41 1 0 22 42 1 0 M END