CLB Converted by convert_cif2sdf.py 2024/03/29 11:09:15 42 42 0 0 0 0 0 0 0 0999 V2000 -3.6468 0.1452 0.0660 N 0 0 0 0 0 -2.8435 -0.8803 -0.6121 C 0 0 0 0 0 -1.4183 -0.8645 -0.0552 C 0 0 0 0 0 -0.7946 0.3794 -0.3786 O 0 0 0 0 0 -3.4591 -2.2358 -0.3778 C 0 0 0 0 0 -4.2192 -2.4028 0.5462 O 0 0 0 0 0 -3.1627 -3.2580 -1.1966 O 0 0 0 0 0 0.3702 2.8344 0.1730 N 0 0 0 0 0 1.2273 1.7022 -0.1852 C 0 0 0 0 0 2.5258 1.7701 0.6212 C 0 0 0 0 0 3.4081 0.6047 0.2518 C 0 0 0 0 0 4.3159 0.7264 -0.7841 C 0 0 0 0 0 5.1251 -0.3420 -1.1228 C 0 0 0 0 0 3.3130 -0.5830 0.9529 C 0 0 0 0 0 4.1178 -1.6539 0.6114 C 0 0 0 0 0 5.0264 -1.5332 -0.4246 C 0 0 0 0 0 6.0426 -2.8745 -0.8493 CL 0 0 0 0 0 1.1542 -0.7097 -0.4117 O 0 0 0 0 0 0.3966 0.1678 1.4972 O 0 0 0 0 0 0.4684 0.3355 0.1426 B 0 5 0 0 0 -0.2458 3.5452 -0.7915 C 0 0 0 0 0 -0.0190 3.3077 -1.9586 O 0 0 0 0 0 -1.2179 4.6358 -0.4203 C 0 0 0 0 0 -4.5953 0.0297 -0.2557 H 0 0 0 0 0 -3.6425 -0.0850 1.0484 H 0 0 0 0 0 -2.8177 -0.6739 -1.6821 H 0 0 0 0 0 -0.8475 -1.6822 -0.4930 H 0 0 0 0 0 -1.4513 -0.9829 1.0281 H 0 0 0 0 0 -3.5576 -4.1282 -1.0460 H 0 0 0 0 0 0.2467 3.0730 1.1057 H 0 0 0 0 0 1.4575 1.7435 -1.2501 H 0 0 0 0 0 3.0444 2.7022 0.3972 H 0 0 0 0 0 2.2955 1.7288 1.6851 H 0 0 0 0 0 4.3926 1.6551 -1.3282 H 0 0 0 0 0 5.8334 -0.2478 -1.9319 H 0 0 0 0 0 2.6037 -0.6771 1.7621 H 0 0 0 0 0 4.0401 -2.5823 1.1565 H 0 0 0 0 0 1.1814 -0.5524 -1.3651 H 0 0 0 0 0 -0.0293 0.9582 1.8541 H 0 0 0 0 0 -1.6125 5.0958 -1.3263 H 0 0 0 0 0 -2.0381 4.2102 0.1575 H 0 0 0 0 0 -0.7058 5.3907 0.1768 H 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 2 3 1 0 0 0 2 5 1 0 0 0 2 26 1 0 0 0 3 4 1 0 0 0 3 27 1 0 0 0 3 28 1 0 0 0 4 20 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 21 1 0 0 0 8 30 1 0 0 0 9 10 1 0 0 0 9 20 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 10 32 1 0 0 0 10 33 1 0 0 0 11 12 2 0 0 0 11 14 1 0 0 0 12 13 1 0 0 0 12 34 1 0 0 0 13 16 2 0 0 0 13 35 1 0 0 0 14 15 2 0 0 0 14 36 1 0 0 0 15 16 1 0 0 0 15 37 1 0 0 0 16 17 1 0 0 0 18 20 1 0 0 0 18 38 1 0 0 0 19 20 1 0 0 0 19 39 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 40 1 0 0 0 23 41 1 0 0 0 23 42 1 0 0 0 M END $$$$