JNI Converted by convert_cif2sdf.py 2024/03/29 11:09:15 69 74 0 0 0 0 0 0 0 0999 V2000 4.9894 -2.7603 1.3929 C 0 0 0 0 0 5.4785 -2.8366 -0.8590 C 0 0 0 0 0 4.6076 -1.7876 -1.0784 C 0 0 0 0 0 3.9225 -1.2513 0.0143 C 0 0 0 0 0 2.9869 2.8580 0.8199 C 0 0 0 0 0 3.7178 3.9643 1.2072 C 0 0 0 0 0 4.1719 1.5172 2.4115 C 0 0 0 0 0 2.7487 0.2675 -1.4421 C 0 0 0 0 0 3.6035 1.1646 -2.0680 C 0 0 0 0 0 3.3171 1.6191 -3.3403 C 0 0 0 0 0 2.1790 1.1852 -3.9985 C 0 0 0 0 0 1.5977 -0.1736 -2.1066 C 0 0 0 0 0 1.1599 -2.3571 -0.9857 C 0 0 0 0 0 0.3042 -3.2505 -0.3714 C 0 0 0 0 0 -0.6659 -0.8107 -1.2859 C 0 0 0 0 0 -5.5516 -0.7771 -0.1833 C 0 0 0 0 0 -3.4688 -0.1615 -0.9468 C 0 0 0 0 0 -7.1873 0.8700 -0.5587 C 0 0 0 0 0 -8.6882 1.1452 -0.4307 C 0 0 0 0 0 -8.7833 -0.2837 1.5207 C 0 0 0 0 0 -7.2834 -0.5589 1.3927 C 0 0 0 0 0 5.1899 -3.2674 2.6647 N 0 0 0 0 0 5.6455 -3.2947 0.3727 N 0 0 0 0 0 4.1418 -1.7567 1.2240 N 0 0 0 0 0 3.0390 -0.1967 -0.1580 N 0 0 0 0 0 2.4089 0.4296 1.0067 C 0 0 0 0 0 3.2114 1.6347 1.4240 C 0 0 0 0 0 4.6752 3.8484 2.1979 C 0 0 0 0 0 4.8997 2.6260 2.8022 C 0 0 0 0 0 1.3214 0.2925 -3.3892 C 0 0 0 0 0 0.6784 -1.1321 -1.4467 C 0 0 0 0 0 -1.0320 -2.9396 -0.2150 C 0 0 0 0 0 -1.5245 -1.7197 -0.6759 C 0 0 0 0 0 -2.9600 -1.3834 -0.5001 C 0 0 0 0 0 -3.8367 -2.2844 0.1098 C 0 0 0 0 0 -5.1066 -1.9485 0.2474 N 0 0 0 0 0 -4.7523 0.1004 -0.7713 N 0 0 0 0 0 -6.8889 -0.4642 -0.0195 N 0 0 0 0 0 -9.0817 1.0504 0.9826 N 0 0 0 0 0 6.0179 -3.2795 -1.6832 H 0 0 0 0 0 4.4543 -1.3950 -2.0727 H 0 0 0 0 0 2.2365 2.9486 0.0486 H 0 0 0 0 0 3.5424 4.9198 0.7348 H 0 0 0 0 0 4.3473 0.5627 2.8840 H 0 0 0 0 0 4.4916 1.5079 -1.5592 H 0 0 0 0 0 3.9839 2.3172 -3.8240 H 0 0 0 0 0 1.9627 1.5454 -4.9932 H 0 0 0 0 0 2.2036 -2.6051 -1.1050 H 0 0 0 0 0 0.6822 -4.1960 -0.0110 H 0 0 0 0 0 -1.0439 0.1357 -1.6452 H 0 0 0 0 0 -2.8230 0.5591 -1.4256 H 0 0 0 0 0 -6.8988 0.9116 -1.6082 H 0 0 0 0 0 -6.6309 1.6213 0.0027 H 0 0 0 0 0 -8.9070 2.1461 -0.8024 H 0 0 0 0 0 -9.2433 0.4099 -1.0131 H 0 0 0 0 0 -9.3397 -1.0351 0.9603 H 0 0 0 0 0 -9.0728 -0.3254 2.5712 H 0 0 0 0 0 -6.7283 0.1754 1.9750 H 0 0 0 0 0 -7.0637 -1.5599 1.7654 H 0 0 0 0 0 5.8049 -4.0044 2.8011 H 0 0 0 0 0 4.7165 -2.8844 3.4198 H 0 0 0 0 0 1.3954 0.7383 0.7502 H 0 0 0 0 0 2.3735 -0.2856 1.8290 H 0 0 0 0 0 5.2441 4.7143 2.5039 H 0 0 0 0 0 5.6471 2.5350 3.5763 H 0 0 0 0 0 0.4344 -0.0436 -3.9060 H 0 0 0 0 0 -1.6958 -3.6414 0.2662 H 0 0 0 0 0 -3.4806 -3.2409 0.4623 H 0 0 0 0 0 -8.6352 1.7701 1.5309 H 0 0 0 0 0 28 29 2 0 0 0 28 6 1 0 0 0 29 7 1 0 0 0 6 5 2 0 0 0 7 27 2 0 0 0 5 27 1 0 0 0 27 26 1 0 0 0 22 1 1 0 0 0 24 1 2 0 0 0 24 4 1 0 0 0 9 10 2 0 0 0 9 8 1 0 0 0 1 23 1 0 0 0 26 25 1 0 0 0 10 11 1 0 0 0 25 4 1 0 0 0 25 8 1 0 0 0 4 3 2 0 0 0 23 2 2 0 0 0 8 12 2 0 0 0 3 2 1 0 0 0 11 30 2 0 0 0 12 30 1 0 0 0 12 31 1 0 0 0 31 13 2 0 0 0 31 15 1 0 0 0 13 14 1 0 0 0 14 32 2 0 0 0 15 33 2 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 34 17 1 0 0 0 35 36 1 0 0 0 17 37 2 0 0 0 36 16 2 0 0 0 37 16 1 0 0 0 16 38 1 0 0 0 18 38 1 0 0 0 18 19 1 0 0 0 38 21 1 0 0 0 19 39 1 0 0 0 21 20 1 0 0 0 39 20 1 0 0 0 2 40 1 0 0 0 3 41 1 0 0 0 5 42 1 0 0 0 6 43 1 0 0 0 7 44 1 0 0 0 9 45 1 0 0 0 10 46 1 0 0 0 11 47 1 0 0 0 13 48 1 0 0 0 14 49 1 0 0 0 15 50 1 0 0 0 17 51 1 0 0 0 18 52 1 0 0 0 18 53 1 0 0 0 19 54 1 0 0 0 19 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 21 58 1 0 0 0 21 59 1 0 0 0 22 60 1 0 0 0 22 61 1 0 0 0 26 62 1 0 0 0 26 63 1 0 0 0 28 64 1 0 0 0 29 65 1 0 0 0 30 66 1 0 0 0 32 67 1 0 0 0 35 68 1 0 0 0 39 69 1 0 0 0 M END $$$$