RDKit 3D 46 47 0 0 0 0 0 0 0 0999 V2000 7.2729 1.0390 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1616 -0.0137 0.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9121 -0.4018 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7947 0.2461 0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 -0.0982 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.5968 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 0.5861 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0893 -0.1566 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.0981 -0.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 0.1794 0.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -0.5161 -0.6244 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9792 0.4619 -1.5570 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9832 1.3400 -2.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 1.2963 -0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 0.3481 -0.3230 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3704 -0.6264 -1.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2787 1.0694 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3795 0.7267 -0.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2403 2.0819 1.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3549 -0.3402 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -1.2076 0.3001 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8772 -2.3199 -0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 -1.1336 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 -1.7963 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 -1.4288 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 -2.1004 -1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7582 1.9428 1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.7757 2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 1.3277 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 1.0645 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 1.4320 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 1.4120 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 -1.3026 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4438 -0.0757 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 2.0805 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4701 1.9582 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5977 1.8642 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 -0.1559 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6337 3.0045 0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -0.9897 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 0.4179 1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 -1.6197 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -2.9104 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -1.5033 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4576 -2.6099 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -2.8468 -1.8526 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 4 5 1 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 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 6 15 20 1 0 20 21 1 0 21 22 1 0 15 17 1 0 17 19 1 0 17 18 2 0 5 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 21 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 11 33 1 6 12 34 1 6 13 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 20 40 1 0 20 41 1 0 21 42 1 1 22 43 1 0 19 39 1 0 23 44 1 0 24 45 1 0 26 46 1 0 M END