RDKit 3D 48 47 0 0 0 0 0 0 0 0999 V2000 3.2112 -2.7520 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 -1.6177 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 -0.4999 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 0.6308 -1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9247 1.8105 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 3.0340 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 4.2768 -2.3307 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 3.3913 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 2.6677 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 1.9695 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 1.3646 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 0.5958 -1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 -0.5885 -1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -1.8925 -1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2693 -2.5019 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -3.4422 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 -5.4656 -0.1397 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 -3.0938 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 -1.7043 2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 -1.5393 3.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -0.1107 3.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 0.8601 3.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 0.6127 2.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 2.1209 3.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 -2.8987 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -3.5671 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 -1.5244 -2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7388 -0.5984 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9318 0.7274 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 1.5592 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 2.0235 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 4.2964 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.9549 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 3.3993 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 0.3034 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5168 1.2231 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 -0.3388 -2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 -2.6060 -2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 -3.0410 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 -1.7384 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -3.8595 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 -0.9568 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -1.5130 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.8244 3.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 -2.2222 4.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 0.2084 3.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -0.0715 4.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 2.6353 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 6 8 2 0 15 16 1 0 3 4 2 0 16 18 2 0 8 9 1 0 16 17 1 0 18 19 1 0 9 10 1 0 19 20 1 0 4 5 1 0 20 21 1 0 10 11 3 0 21 22 1 0 2 3 1 0 22 24 1 0 6 7 1 0 22 23 2 0 5 6 1 0 15 14 1 0 11 12 1 0 14 13 2 0 13 12 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 12 35 1 0 12 36 1 0 15 39 1 0 15 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 24 48 1 0 14 38 1 0 13 37 1 0 M END