RDKit 3D 48 49 0 0 0 0 0 0 0 0999 V2000 4.1398 3.0924 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 2.1424 0.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 1.9001 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 2.5542 2.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 0.9022 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.7119 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -0.2191 0.3032 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4548 -0.7225 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 -1.7025 -1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 -2.3013 -2.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -2.1485 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -1.0238 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 0.2321 0.0124 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1268 1.0142 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 2.3564 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 0.2435 2.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -0.2073 -1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8143 0.1976 -0.7371 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5144 -0.9676 -0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 -1.2002 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -2.4765 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 -0.3390 -1.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 3.6851 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 3.7971 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 2.6056 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 1.3156 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 -1.1667 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 -2.8575 -3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -3.0150 -2.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5584 -1.4720 -3.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 -2.8319 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -2.7509 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7655 -1.2665 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9026 -0.6813 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 0.8690 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1169 1.2621 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 2.6785 0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 2.3855 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 3.1609 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6042 0.9765 3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 -0.1969 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -0.5699 2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -1.0257 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 0.6212 -2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 0.8274 -1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -3.2913 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0663 -2.6757 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -2.4217 -0.2242 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 3 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 13 12 1 0 12 11 1 0 11 9 1 0 9 10 1 0 9 8 2 0 8 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 13 14 1 0 14 15 1 0 14 16 1 0 18 5 1 0 8 7 1 0 1 23 1 0 1 24 1 0 1 25 1 0 6 26 1 0 7 27 1 1 13 35 1 6 12 33 1 0 12 34 1 0 11 31 1 0 11 32 1 0 10 28 1 0 10 29 1 0 10 30 1 0 17 43 1 0 17 44 1 0 18 45 1 6 21 46 1 0 21 47 1 0 21 48 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END