DUT Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 44 0 0 0 0 0 0 0 0999 V2000 -3.7996 -0.6354 0.6412 N 0 0 0 0 0 -3.6143 -1.2410 1.8275 C 0 0 0 0 0 -4.3175 -2.3390 2.1609 N 0 0 0 0 0 -5.2179 -2.8567 1.3011 C 0 0 0 0 0 -5.4189 -2.2319 0.0471 C 0 0 0 0 0 -4.7036 -1.1288 -0.2596 C 0 0 0 0 0 -2.8061 -0.7850 2.6135 O 0 0 0 0 0 -5.8510 -3.8535 1.5998 O 0 0 0 0 0 -3.0230 0.5601 0.3081 C 0 0 0 0 0 -3.3011 1.6842 1.3302 C 0 0 0 0 0 -1.9318 2.3772 1.5082 C 0 0 0 0 0 -0.9850 1.5905 0.5755 C 0 0 0 0 0 -1.6082 0.2943 0.4290 O 0 0 0 0 0 -2.0069 3.7464 1.1072 O 0 0 0 0 0 0.4006 1.4475 1.2070 C 0 0 0 0 0 1.2331 0.6555 0.3576 O 0 0 0 0 0 2.6662 0.5456 1.0795 P 0 0 0 0 0 3.2343 1.9008 1.2561 O 0 0 0 0 0 2.4894 -0.1532 2.5189 O 0 0 0 0 0 3.6588 -0.3368 0.1723 O 0 0 0 0 0 5.0662 -0.4045 0.9517 P 0 0 0 0 0 4.8669 -1.0331 2.2754 O 0 0 0 0 0 5.6436 1.0845 1.1448 O 0 0 0 0 0 6.1122 -1.2785 0.0948 O 0 0 0 0 0 7.4898 -1.3032 0.9287 P 0 0 0 0 0 7.2534 -1.9180 2.2532 O 0 0 0 0 0 8.5872 -2.1655 0.1260 O 0 0 0 0 0 8.0271 0.2007 1.1225 O 0 0 0 0 0 -4.1742 -2.7611 3.0228 H 0 0 0 0 0 -6.1357 -2.6317 -0.6539 H 0 0 0 0 0 -4.8441 -0.6383 -1.2114 H 0 0 0 0 0 -3.2611 0.8975 -0.7006 H 0 0 0 0 0 -3.6420 1.2643 2.2762 H 0 0 0 0 0 -4.0360 2.3868 0.9364 H 0 0 0 0 0 -1.5971 2.3018 2.5433 H 0 0 0 0 0 -0.9097 2.0878 -0.3924 H 0 0 0 0 0 -2.6324 4.1791 1.7044 H 0 0 0 0 0 0.8465 2.4336 1.3348 H 0 0 0 0 0 0.3082 0.9623 2.1786 H 0 0 0 0 0 2.1175 -1.0310 2.3590 H 0 0 0 0 0 5.7594 1.4573 0.2607 H 0 0 0 0 0 9.3949 -2.1553 0.6581 H 0 0 0 0 0 8.1680 0.5637 0.2386 H 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 1 9 1 0 0 0 2 3 1 0 0 0 2 7 2 0 0 0 3 4 1 0 0 0 3 29 1 0 0 0 4 5 1 0 0 0 4 8 2 0 0 0 5 6 2 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 9 10 1 0 0 0 9 13 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 10 33 1 0 0 0 10 34 1 0 0 0 11 12 1 0 0 0 11 14 1 0 0 0 11 35 1 0 0 0 12 13 1 0 0 0 12 15 1 0 0 0 12 36 1 0 0 0 14 37 1 0 0 0 15 16 1 0 0 0 15 38 1 0 0 0 15 39 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 19 40 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 23 41 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 27 42 1 0 0 0 28 43 1 0 0 0 M END $$$$