STU Converted by convert_cif2sdf.py 2024/03/29 11:09:15 61 68 0 0 0 0 0 0 0 0999 V2000 -0.7349 1.9477 1.5766 O 0 0 0 0 0 0.4037 2.3391 0.8681 C 0 0 0 0 0 0.1123 3.1975 -0.3520 C 0 0 0 0 0 -0.9323 2.4973 -1.2300 C 0 0 0 0 0 -2.1801 2.2584 -0.3696 C 0 0 0 0 0 -1.7869 1.4081 0.8291 C 0 0 0 0 0 -3.0104 1.4441 1.7478 C 0 0 0 0 0 -1.6075 0.0046 0.4686 N 0 0 0 0 0 -0.3763 -0.5905 0.2378 C 0 0 0 0 0 0.9053 -0.0367 0.2610 C 0 0 0 0 0 2.0192 -0.8298 -0.0141 C 0 0 0 0 0 1.8407 -2.2023 -0.3044 C 0 0 0 0 0 0.5581 -2.7421 -0.3250 C 0 0 0 0 0 -0.5528 -1.9487 -0.0609 C 0 0 0 0 0 -1.9973 -2.1799 -0.0063 C 0 0 0 0 0 -2.5954 -0.9396 0.3164 C 0 0 0 0 0 -3.9792 -0.8303 0.4359 C 0 0 0 0 0 -4.7240 -1.9789 0.2261 C 0 0 0 0 0 -4.1361 -3.1908 -0.0885 C 0 0 0 0 0 -2.7630 -3.3262 -0.2131 C 0 0 0 0 0 0.7155 -4.2040 -0.6690 C 0 0 0 0 0 2.1556 -4.4315 -0.8321 N 0 0 0 0 0 2.7999 -3.2724 -0.6192 C 0 0 0 0 0 4.0062 -3.1275 -0.6789 O 0 0 0 0 0 3.1736 0.0586 0.0792 C 0 0 0 0 0 2.6747 1.3424 0.4040 C 0 0 0 0 0 3.5432 2.4216 0.5633 C 0 0 0 0 0 4.8948 2.1742 0.3910 C 0 0 0 0 0 5.3805 0.9180 0.0754 C 0 0 0 0 0 4.5405 -0.1699 -0.0892 C 0 0 0 0 0 1.2921 1.2294 0.5345 N 0 0 0 0 0 -3.1427 1.5551 -1.1575 O 0 0 0 0 0 -3.9669 2.5419 -1.7794 C 0 0 0 0 0 -0.4022 1.2136 -1.7078 N 0 0 0 0 0 0.2582 1.4808 -2.9922 C 0 0 0 0 0 0.9711 2.9759 1.5461 H 0 0 0 0 0 1.0290 3.3414 -0.9230 H 0 0 0 0 0 -0.2724 4.1659 -0.0306 H 0 0 0 0 0 -1.1856 3.1315 -2.0798 H 0 0 0 0 0 -2.6097 3.1988 -0.0255 H 0 0 0 0 0 -3.0068 0.5651 2.3918 H 0 0 0 0 0 -2.9776 2.3448 2.3609 H 0 0 0 0 0 -3.9180 1.4478 1.1438 H 0 0 0 0 0 -4.4509 0.1098 0.6808 H 0 0 0 0 0 -5.7999 -1.9268 0.3102 H 0 0 0 0 0 -4.7648 -4.0556 -0.2394 H 0 0 0 0 0 -2.3078 -4.2733 -0.4583 H 0 0 0 0 0 0.3274 -4.8229 0.1385 H 0 0 0 0 0 0.1926 -4.4283 -1.5983 H 0 0 0 0 0 2.5724 -5.2786 -1.0564 H 0 0 0 0 0 3.1778 3.4078 0.8093 H 0 0 0 0 0 5.5934 2.9896 0.5081 H 0 0 0 0 0 6.4449 0.7820 -0.0462 H 0 0 0 0 0 4.9245 -1.1483 -0.3359 H 0 0 0 0 0 -4.7211 2.0504 -2.3950 H 0 0 0 0 0 -4.4584 3.1412 -1.0130 H 0 0 0 0 0 -3.3516 3.1875 -2.4061 H 0 0 0 0 0 -1.1988 0.6278 -1.9080 H 0 0 0 0 0 0.6697 0.5538 -3.3888 H 0 0 0 0 0 -0.4673 1.8867 -3.6964 H 0 0 0 0 0 1.0618 2.2016 -2.8436 H 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 2 31 1 0 0 0 2 36 1 0 0 0 3 4 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 4 5 1 0 0 0 4 34 1 0 0 0 4 39 1 0 0 0 5 6 1 0 0 0 5 32 1 0 0 0 5 40 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 7 41 1 0 0 0 7 42 1 0 0 0 7 43 1 0 0 0 8 9 1 0 0 0 8 16 1 0 0 0 9 10 2 0 0 0 9 14 1 0 0 0 10 11 1 0 0 0 10 31 1 0 0 0 11 12 2 0 0 0 11 25 1 0 0 0 12 13 1 0 0 0 12 23 1 0 0 0 13 14 2 0 0 0 13 21 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 20 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 44 1 0 0 0 18 19 1 0 0 0 18 45 1 0 0 0 19 20 2 0 0 0 19 46 1 0 0 0 20 47 1 0 0 0 21 22 1 0 0 0 21 48 1 0 0 0 21 49 1 0 0 0 22 23 1 0 0 0 22 50 1 0 0 0 23 24 2 0 0 0 25 26 2 0 0 0 25 30 1 0 0 0 26 27 1 0 0 0 26 31 1 0 0 0 27 28 2 0 0 0 27 51 1 0 0 0 28 29 1 0 0 0 28 52 1 0 0 0 29 30 2 0 0 0 29 53 1 0 0 0 30 54 1 0 0 0 32 33 1 0 0 0 33 55 1 0 0 0 33 56 1 0 0 0 33 57 1 0 0 0 34 35 1 0 0 0 34 58 1 0 0 0 35 59 1 0 0 0 35 60 1 0 0 0 35 61 1 0 0 0 M END $$$$