RDKit 3D 54 56 0 0 0 0 0 0 0 0999 V2000 -4.4585 0.9648 2.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 1.5593 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6152 1.3828 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4885 0.5592 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 0.3462 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 -0.4913 -0.5757 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8990 0.0708 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.7998 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 -0.4716 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 0.7133 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 1.0684 0.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 0.2733 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 1.5659 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 2.7734 1.4103 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 1.2570 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 2.1342 0.7828 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 3.2234 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 -2.0652 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -2.7734 -0.6115 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3952 -3.4326 -1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -4.3170 -2.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -1.7941 0.1707 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0800 -1.8084 1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -0.9384 2.4622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 1.0162 -1.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8666 1.8269 -2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8046 2.0242 -1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 2.8543 -1.3343 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4252 -0.1499 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5445 1.2472 2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 1.1673 2.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 0.1018 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -0.8581 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -1.1737 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 -0.6380 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 0.0170 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 0.8690 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 3.0453 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 3.1784 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 3.2629 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 4.2050 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -1.8995 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -2.7557 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 -3.5839 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 -4.0795 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -2.6664 -2.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 -4.9469 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -2.2279 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 -2.8493 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 -1.8547 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 -0.3117 2.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 0.8746 -2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 2.3439 -3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5773 2.9610 -0.5741 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 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 5 6 1 0 6 22 1 0 22 23 1 0 23 24 1 0 22 19 1 0 19 20 1 0 20 21 1 0 19 18 1 0 18 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 15 7 2 0 27 3 1 0 7 6 1 0 7 8 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 25 52 1 0 26 53 1 0 28 54 1 0 6 33 1 6 22 48 1 1 23 49 1 0 23 50 1 0 24 51 1 0 19 44 1 1 20 45 1 0 20 46 1 0 21 47 1 0 18 42 1 0 18 43 1 0 9 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M END