RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 9.1314 1.0530 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 -0.3057 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2843 -0.4706 0.9976 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 -0.0909 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0387 0.6052 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 0.9413 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 0.5785 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 -0.1102 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -0.4517 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1361 -0.4127 1.1135 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 0.3684 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 0.8449 -1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 0.4483 -0.3314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 -0.0982 0.5640 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1868 0.5324 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0534 1.2175 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5482 1.1542 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 1.6643 -2.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 1.8673 -1.8193 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3763 0.3246 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2393 -0.1059 2.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7542 0.5669 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6568 -0.5037 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9934 -0.2994 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4243 0.9735 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5249 2.0422 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 1.8464 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0493 3.2438 -0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1165 4.0815 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 -1.6289 0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -2.3411 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -3.7372 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 -4.4411 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1621 -3.7446 1.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -2.3532 1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 -4.4634 2.8453 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2424 1.1886 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 1.8663 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1148 1.1512 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4440 -0.4971 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1976 -1.0781 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9173 0.9179 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 1.4845 -2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 -0.9893 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 0.2593 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3135 -1.4904 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6943 -1.1280 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4610 1.1343 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 2.6667 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4308 4.5590 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6867 4.8752 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 3.5341 -2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -1.8080 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 -4.2698 -1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -5.5253 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1746 -1.8150 2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 -3.8320 3.5602 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 19 1 0 15 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 14 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 34 36 1 0 9 4 1 0 12 7 1 0 17 13 1 0 27 22 1 0 35 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 5 42 1 0 6 43 1 0 9 44 1 0 14 45 1 1 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 29 50 1 0 29 51 1 0 29 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 35 56 1 0 36 57 1 0 M CHG 1 19 -1 M END