CX3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 48 52 0 0 0 0 0 0 0 0999 V2000 2.0489 1.8229 1.1080 O 0 0 0 0 0 2.5554 0.7710 0.7670 C 0 0 0 0 0 3.9125 0.7620 0.2003 C 0 0 0 0 0 4.4776 -0.4733 -0.1880 C 0 0 0 0 0 3.7300 -1.6619 -0.0249 C 0 0 0 0 0 4.2932 -2.8703 -0.4096 C 0 0 0 0 0 5.5743 -2.9029 -0.9481 C 0 0 0 0 0 6.3102 -1.7651 -1.1124 C 0 0 0 0 0 5.7772 -0.5204 -0.7352 C 0 0 0 0 0 6.4944 0.6793 -0.8851 C 0 0 0 0 0 4.6534 1.9231 0.0363 C 0 0 0 0 0 5.9329 1.8635 -0.5030 C 0 0 0 0 0 1.8721 -0.3806 0.9134 N 0 0 0 0 0 2.3791 -1.5729 0.5487 C 0 0 0 0 0 1.7181 -2.5823 0.6978 O 0 0 0 0 0 0.5242 -0.3318 1.4861 C 0 0 0 0 0 -0.5007 -0.1537 0.3641 C 0 0 0 0 0 -1.9080 -0.1041 0.9622 C 0 0 0 0 0 -2.8794 0.1972 -0.0976 N 0 3 0 0 0 -2.4957 1.4469 -0.6941 C 0 0 0 0 0 -1.8568 1.7181 -2.0664 C 0 0 0 0 0 -3.9391 -0.7707 0.0015 C 0 0 0 0 0 -4.2566 -1.9673 -0.9106 C 0 0 0 0 0 -2.2512 -0.8168 -1.9407 PT 0 0 0 0 0 -1.1072 0.5871 -2.8393 N 0 0 0 0 0 -3.1640 -2.5719 -1.8494 N 0 0 0 0 0 3.7349 -3.7870 -0.2912 H 0 0 0 0 0 5.9977 -3.8518 -1.2423 H 0 0 0 0 0 7.3035 -1.8210 -1.5333 H 0 0 0 0 0 7.4911 0.6630 -1.3011 H 0 0 0 0 0 4.2364 2.8753 0.3284 H 0 0 0 0 0 6.4970 2.7765 -0.6247 H 0 0 0 0 0 0.3228 -1.2620 2.0182 H 0 0 0 0 0 0.4537 0.5063 2.1792 H 0 0 0 0 0 -0.2983 0.7756 -0.1681 H 0 0 0 0 0 -0.4303 -0.9917 -0.3290 H 0 0 0 0 0 -2.1470 -1.0676 1.4107 H 0 0 0 0 0 -1.9512 0.6731 1.7250 H 0 0 0 0 0 -3.3916 2.0675 -0.6658 H 0 0 0 0 0 -1.8330 1.9210 0.0303 H 0 0 0 0 0 -2.6464 2.0866 -2.7210 H 0 0 0 0 0 -1.1510 2.5389 -1.9349 H 0 0 0 0 0 -3.8569 -1.1866 1.0049 H 0 0 0 0 0 -4.8595 -0.1868 0.0403 H 0 0 0 0 0 -4.6119 -2.7740 -0.2695 H 0 0 0 0 0 -5.0954 -1.6758 -1.5422 H 0 0 0 0 0 -0.1467 0.5184 -2.5376 H 0 0 0 0 0 -2.5978 -3.2478 -1.3572 H 0 0 0 0 0 26 23 1 0 0 0 26 24 1 0 0 0 23 22 1 0 0 0 24 19 1 0 0 0 24 25 1 0 0 0 22 19 1 0 0 0 7 8 2 0 0 0 7 6 1 0 0 0 8 9 1 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 25 21 1 0 0 0 18 17 1 0 0 0 6 5 2 0 0 0 9 10 2 0 0 0 9 4 1 0 0 0 10 12 1 0 0 0 5 4 1 0 0 0 5 14 1 0 0 0 4 3 2 0 0 0 12 11 2 0 0 0 15 14 2 0 0 0 20 21 1 0 0 0 14 13 1 0 0 0 3 11 1 0 0 0 3 2 1 0 0 0 13 2 1 0 0 0 13 16 1 0 0 0 2 1 2 0 0 0 17 16 1 0 0 0 6 27 1 0 0 0 7 28 1 0 0 0 8 29 1 0 0 0 10 30 1 0 0 0 11 31 1 0 0 0 12 32 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 35 1 0 0 0 17 36 1 0 0 0 18 37 1 0 0 0 18 38 1 0 0 0 20 39 1 0 0 0 20 40 1 0 0 0 21 41 1 0 0 0 21 42 1 0 0 0 22 43 1 0 0 0 22 44 1 0 0 0 23 45 1 0 0 0 23 46 1 0 0 0 25 47 1 0 0 0 26 48 1 0 0 0 M END $$$$