9LB Converted by convert_cif2sdf.py 2026/01/30 11:05:38 40 42 0 0 0 0 0 0 0 0999 V2000 3.2199 3.4497 0.5065 O 0 0 0 0 0 3.8821 2.3204 -0.0678 C 0 0 0 0 0 3.2121 1.0350 0.4194 C 0 0 0 0 0 3.9942 -0.1758 -0.0961 C 0 0 0 0 0 5.3189 -0.1528 0.4420 O 0 0 0 0 0 3.2840 -1.4591 0.3454 C 0 0 0 0 0 3.9675 -2.5926 -0.1927 O 0 0 0 0 0 1.8722 0.9785 -0.0735 O 0 0 0 0 0 1.1431 -0.1765 0.3467 C 0 0 0 0 0 1.8426 -1.4361 -0.1720 C 0 0 0 0 0 1.1290 -2.6271 0.3078 N 0 0 0 0 0 -0.2571 -0.1161 -0.2071 C 0 0 0 0 0 -0.5928 -0.1682 -1.4684 N 0 0 0 0 0 -1.8711 -0.0906 -1.5883 N 0 0 0 0 0 -2.4216 0.0175 -0.3996 C 0 0 0 0 0 -1.4049 -0.0027 0.5158 N 0 0 0 0 0 -3.8672 0.1305 -0.1064 C 0 0 0 0 0 -4.7950 0.1306 -1.1483 C 0 0 0 0 0 -6.1426 0.2365 -0.8689 C 0 0 0 0 0 -6.5731 0.3434 0.4412 C 0 0 0 0 0 -5.6582 0.3439 1.4789 C 0 0 0 0 0 -4.3089 0.2339 1.2123 C 0 0 0 0 0 3.5932 4.3009 0.2405 H 0 0 0 0 0 3.8160 2.3754 -1.1542 H 0 0 0 0 0 4.9293 2.3216 0.2329 H 0 0 0 0 0 3.1987 1.0217 1.5097 H 0 0 0 0 0 4.0429 -0.1421 -1.1841 H 0 0 0 0 0 5.8248 0.6363 0.2046 H 0 0 0 0 0 3.2800 -1.5175 1.4343 H 0 0 0 0 0 4.8890 -2.6666 0.0887 H 0 0 0 0 0 1.1025 -0.2053 1.4353 H 0 0 0 0 0 1.8469 -1.4278 -1.2619 H 0 0 0 0 0 1.5759 -3.4717 -0.0170 H 0 0 0 0 0 1.0543 -2.6219 1.3142 H 0 0 0 0 0 -4.4600 0.0473 -2.1723 H 0 0 0 0 0 -6.8613 0.2363 -1.6753 H 0 0 0 0 0 -7.6288 0.4259 0.6547 H 0 0 0 0 0 -6.0012 0.4275 2.4997 H 0 0 0 0 0 -3.5964 0.2297 2.0242 H 0 0 0 0 0 -1.4852 0.0550 1.4811 H 0 0 0 0 0 7 6 1 0 0 0 5 4 1 0 0 0 6 4 1 0 0 0 6 10 1 0 0 0 4 3 1 0 0 0 11 10 1 0 0 0 10 9 1 0 0 0 1 2 1 0 0 0 3 2 1 0 0 0 3 8 1 0 0 0 9 8 1 0 0 0 9 12 1 0 0 0 13 12 2 0 0 0 13 14 1 0 0 0 12 16 1 0 0 0 14 15 2 0 0 0 16 15 1 0 0 0 15 17 1 0 0 0 17 18 2 0 0 0 17 22 1 0 0 0 18 19 1 0 0 0 22 21 2 0 0 0 19 20 2 0 0 0 21 20 1 0 0 0 1 23 1 0 0 0 2 24 1 0 0 0 2 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 5 28 1 0 0 0 6 29 1 0 0 0 7 30 1 0 0 0 9 31 1 0 0 0 10 32 1 0 0 0 11 33 1 0 0 0 11 34 1 0 0 0 18 35 1 0 0 0 19 36 1 0 0 0 20 37 1 0 0 0 21 38 1 0 0 0 22 39 1 0 0 0 16 40 1 0 0 0 M END $$$$