RDKit 3D 48 52 0 0 0 0 0 0 0 0999 V2000 0.5925 1.6996 1.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 1.3097 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 1.0030 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 1.2391 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6076 1.2239 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 0.1332 -0.8439 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7264 -1.1658 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.1841 -0.8310 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1421 0.9316 -2.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7735 0.9310 -3.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 1.6114 -1.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.2786 -0.7431 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6065 -0.0344 -0.9790 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9622 -0.6440 -2.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -0.4872 -3.3313 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -1.3604 -1.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 -1.1564 -0.8095 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0161 -1.2823 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4683 -1.7085 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 -1.0262 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6086 -1.4503 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -1.3254 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 0.0109 -1.1199 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6755 1.0619 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 0.8022 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 1.9571 2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 2.4916 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 2.2538 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 0.5168 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 0.9424 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 2.2006 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 0.3033 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8006 -0.9868 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7538 -1.9626 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 -1.4363 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6866 2.0689 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7364 -1.9517 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -2.1947 2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 -2.4662 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7332 -0.8341 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 -2.5002 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -0.8238 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 -2.1554 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -1.2663 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4049 0.1261 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 2.0821 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 1.0723 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 0.7839 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 2 0 2 1 1 0 2 12 1 0 12 11 1 0 11 9 1 0 9 10 2 0 8 9 1 6 8 17 1 0 17 16 1 0 16 14 1 0 14 15 2 0 13 14 1 6 13 23 1 0 23 24 1 0 23 22 1 0 22 21 1 0 21 20 1 0 20 18 2 0 18 19 1 0 8 6 1 0 18 17 1 0 8 3 1 0 20 13 1 0 13 12 1 0 7 33 1 0 7 34 1 0 7 35 1 0 6 32 1 6 5 30 1 0 5 31 1 0 4 28 1 0 4 29 1 0 1 25 1 0 1 26 1 0 1 27 1 0 12 36 1 1 17 37 1 1 23 45 1 6 24 46 1 0 24 47 1 0 24 48 1 0 22 43 1 0 22 44 1 0 21 41 1 0 21 42 1 0 19 38 1 0 19 39 1 0 19 40 1 0 M END