J28 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 40 41 0 0 0 0 0 0 0 0999 V2000 -4.6483 -1.6240 0.2350 S 0 0 0 0 0 -0.2602 1.0099 0.1014 N 0 0 0 0 0 0.3625 -0.1182 0.1463 N 0 0 0 0 0 1.7244 -0.1449 0.1401 C 0 0 0 0 0 -1.6272 1.0372 0.1066 C 0 0 0 0 0 5.8581 -0.2202 0.1214 O 0 0 0 0 0 -4.3964 1.0920 0.1189 C 0 0 0 0 0 1.6948 -2.5674 0.2426 N 0 0 0 0 0 4.6062 2.3051 0.0140 C 0 0 0 0 0 -5.9030 1.1217 0.1252 C 0 0 0 0 0 -1.5323 3.5511 0.0117 C 0 0 0 0 0 -4.8907 -2.0698 -1.1992 O 0 0 0 0 0 4.5006 -0.1992 0.1267 C 0 0 0 0 0 -5.9215 -1.2926 0.7737 O 0 0 0 0 0 -3.7873 -2.5934 0.8168 O 0 0 0 0 0 2.4070 -1.3737 0.1884 C 0 0 0 0 0 2.4506 1.0487 0.0798 C 0 0 0 0 0 3.7932 -1.3905 0.1819 C 0 0 0 0 0 3.8260 1.0171 0.0737 C 0 0 0 0 0 -2.3525 -0.1555 0.1608 C 0 0 0 0 0 -2.3062 2.2584 0.0645 C 0 0 0 0 0 -3.7321 -0.1212 0.1669 C 0 0 0 0 0 -3.6846 2.2778 0.0709 C 0 0 0 0 0 6.2466 -0.2633 -0.7633 H 0 0 0 0 0 -5.3918 -2.8934 -1.2763 H 0 0 0 0 0 1.9320 1.9953 0.0372 H 0 0 0 0 0 4.3214 -2.3313 0.2233 H 0 0 0 0 0 -1.8349 -1.1032 0.1984 H 0 0 0 0 0 -4.2099 3.2209 0.0344 H 0 0 0 0 0 0.7249 -2.5530 0.2476 H 0 0 0 0 0 2.1676 -3.4133 0.2758 H 0 0 0 0 0 4.7923 2.5697 -1.0270 H 0 0 0 0 0 4.0337 3.0988 0.4945 H 0 0 0 0 0 5.5562 2.1786 0.5330 H 0 0 0 0 0 -6.2615 1.1716 1.1538 H 0 0 0 0 0 -6.2522 1.9965 -0.4239 H 0 0 0 0 0 -6.2869 0.2180 -0.3482 H 0 0 0 0 0 -1.3518 3.8233 -1.0285 H 0 0 0 0 0 -2.1072 4.3378 0.4993 H 0 0 0 0 0 -0.5793 3.4247 0.5257 H 0 0 0 0 0 1 12 1 0 0 0 1 14 2 0 0 0 1 15 2 0 0 0 1 22 1 0 0 0 2 3 2 0 0 0 2 5 1 0 0 0 3 4 1 0 0 0 4 16 2 0 0 0 4 17 1 0 0 0 5 20 2 0 0 0 5 21 1 0 0 0 6 13 1 0 0 0 6 24 1 0 0 0 7 10 1 0 0 0 7 22 2 0 0 0 7 23 1 0 0 0 8 16 1 0 0 0 8 30 1 0 0 0 8 31 1 0 0 0 9 19 1 0 0 0 9 32 1 0 0 0 9 33 1 0 0 0 9 34 1 0 0 0 10 35 1 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 11 21 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 11 40 1 0 0 0 12 25 1 0 0 0 13 18 2 0 0 0 13 19 1 0 0 0 16 18 1 0 0 0 17 19 2 0 0 0 17 26 1 0 0 0 18 27 1 0 0 0 20 22 1 0 0 0 20 28 1 0 0 0 21 23 2 0 0 0 23 29 1 0 0 0 M END $$$$