RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 2.2860 -1.9926 -1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9118 -1.4832 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -2.3767 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -2.0099 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -2.8191 0.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -0.6502 -0.3076 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0683 -0.2259 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0689 -1.1167 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 -0.3179 1.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 1.1778 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 1.8447 -0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9803 1.6856 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 0.2510 0.0515 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0428 -0.0802 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -0.3942 2.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 -0.0126 1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 1.0076 0.6442 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5734 0.8473 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 0.6162 2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 0.5318 1.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 0.7055 0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 0.8928 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 0.8684 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.0614 -0.9567 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0143 0.1100 -2.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2771 -3.0901 -1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7274 -1.4987 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8892 -1.8284 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -3.4196 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -0.7094 -1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 -2.1458 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 -0.7252 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -1.1704 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 0.6043 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 -1.2476 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -0.2721 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 1.2525 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 1.8393 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 2.9455 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8576 1.5101 -1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 1.9315 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 2.4068 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 2.0142 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7976 0.5110 3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3983 0.3555 2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 1.0573 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 1.8492 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 0.4733 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 0.3585 -2.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 1 14 15 2 0 14 16 1 0 16 17 1 0 17 23 1 0 23 24 1 0 24 25 1 6 17 18 1 0 18 22 2 0 22 21 1 0 21 20 1 0 20 19 2 0 24 2 1 0 19 18 1 0 13 6 1 0 24 13 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 6 30 1 6 8 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 17 43 1 1 23 47 1 0 23 48 1 0 25 49 1 0 22 46 1 0 20 45 1 0 19 44 1 0 M END