090 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 45 0 0 0 0 0 0 0 0999 V2000 -1.2672 -5.1922 1.7248 O 0 0 0 0 0 -0.6485 -4.1309 1.6850 C 0 0 0 0 0 0.8222 -4.1071 1.7765 C 0 0 0 0 0 1.4662 -3.0158 2.3109 C 0 0 0 0 0 2.8111 -2.9288 2.4234 N 0 0 0 0 0 3.5201 -3.9897 1.9774 C 0 0 0 0 0 2.9517 -5.1268 1.4268 C 0 0 0 0 0 1.5656 -5.1793 1.3278 C 0 0 0 0 0 -1.2609 -2.8659 1.5912 N 0 0 0 0 0 -2.6226 -2.5640 1.5268 C 0 0 0 0 0 -3.5339 -3.5560 1.5533 N 0 0 0 0 0 -4.8408 -3.2382 1.4897 C 0 0 0 0 0 -5.7830 -4.2600 1.5169 C 0 0 0 0 0 -5.3640 -5.5615 1.6050 O 0 0 0 0 0 -5.1268 -6.2423 0.3784 C 0 0 0 0 0 -5.3393 -1.9110 1.3970 C 0 0 0 0 0 -4.3766 -0.8693 1.3703 C 0 0 0 0 0 -3.0894 -1.1761 1.4317 N 0 3 0 0 0 -2.3602 -0.0103 1.3892 C 0 0 0 0 0 -3.2575 1.0445 1.2989 C 0 0 0 0 0 -4.5369 0.5054 1.2855 N 0 0 0 0 0 -6.7215 -1.6417 1.3337 C 0 0 0 0 0 -7.6264 -2.6963 1.3643 C 0 0 0 0 0 -7.1577 -4.0028 1.4556 C 0 0 0 0 0 -8.0533 -5.0306 1.4846 O 0 0 0 0 0 -8.5216 -5.4445 2.7660 C 0 0 0 0 0 0.9247 -2.1483 2.6770 H 0 0 0 0 0 4.5964 -3.9007 2.0773 H 0 0 0 0 0 3.5668 -5.9512 1.0846 H 0 0 0 0 0 1.0912 -6.0582 0.8994 H 0 0 0 0 0 -0.6240 -2.0619 1.5666 H 0 0 0 0 0 -5.9582 -6.9186 0.1684 H 0 0 0 0 0 -4.1925 -6.8064 0.4492 H 0 0 0 0 0 -5.0459 -5.5069 -0.4262 H 0 0 0 0 0 -1.2818 0.0263 1.4230 H 0 0 0 0 0 -3.1144 2.1140 1.2415 H 0 0 0 0 0 -5.4068 1.0185 1.2256 H 0 0 0 0 0 -7.0980 -0.6256 1.2638 H 0 0 0 0 0 -8.6924 -2.4943 1.3159 H 0 0 0 0 0 -9.5991 -5.2763 2.8327 H 0 0 0 0 0 -8.0049 -4.8768 3.5437 H 0 0 0 0 0 -8.3127 -6.5085 2.8941 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 8 2 0 0 0 4 5 2 0 0 0 4 27 1 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 28 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 30 1 0 0 0 9 10 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 10 18 2 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 12 16 1 0 0 0 13 14 1 0 0 0 13 24 2 0 0 0 14 15 1 0 0 0 15 32 1 0 0 0 15 33 1 0 0 0 15 34 1 0 0 0 16 17 2 0 0 0 16 22 1 0 0 0 17 18 1 0 0 0 17 21 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 35 1 0 0 0 20 21 1 0 0 0 20 36 1 0 0 0 21 37 1 0 0 0 22 23 2 0 0 0 22 38 1 0 0 0 23 24 1 0 0 0 23 39 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 40 1 0 0 0 26 41 1 0 0 0 26 42 1 0 0 0 M END $$$$