C4V Converted by convert_cif2sdf.py 2024/03/29 11:09:15 67 69 0 0 0 0 0 0 0 0999 V2000 4.4926 3.3240 2.3743 C 0 0 0 0 0 1.1252 -4.8868 0.4617 C 0 0 0 0 0 0.5599 3.4936 -1.5659 C 0 0 0 0 0 1.8475 2.7751 -3.5837 C 0 0 0 0 0 1.3758 2.3595 -2.1885 C 0 0 0 0 0 2.1821 -4.3878 1.4130 C 0 0 0 0 0 1.4515 -4.8609 -1.0333 C 0 0 0 0 0 -1.8503 0.6619 0.2896 C 0 0 0 0 0 2.5908 2.0620 -1.3075 C 0 0 0 0 0 3.3289 3.1617 1.3938 C 0 0 0 0 0 -4.6038 0.6378 -0.5017 C 0 0 0 0 0 0.8986 -2.4234 -0.3282 C 0 0 0 0 0 2.2177 -2.0886 -0.5722 C 0 0 0 0 0 2.6311 -0.7732 -0.4672 C 0 0 0 0 0 1.7217 0.2136 -0.1167 C 0 0 0 0 0 0.3924 -0.1246 0.1296 C 0 0 0 0 0 -0.0142 -1.4461 0.0210 C 0 0 0 0 0 0.4531 -3.8581 -0.4509 C 0 0 0 0 0 -0.5322 0.8674 0.4838 N 0 0 0 0 0 2.1390 1.5447 -0.0090 N 0 0 0 0 0 3.1887 1.6873 1.0087 C 0 0 0 0 0 2.0353 3.6425 2.0537 C 0 0 0 0 0 2.8038 -5.2470 2.2357 O 0 0 0 0 0 2.4696 -3.2144 1.4352 O 0 0 0 0 0 -2.2309 -0.3409 -0.2817 O 0 0 0 0 0 -2.7451 1.5690 0.7284 N 0 0 0 0 0 -4.1164 1.3126 0.6096 C 0 0 0 0 0 -5.9579 0.3926 -0.6184 C 0 0 0 0 0 -6.8277 0.8174 0.3696 C 0 0 0 0 0 -6.3449 1.4900 1.4771 C 0 0 0 0 0 -4.9913 1.7339 1.6029 C 0 0 0 0 0 -8.3044 0.5477 0.2383 C 0 0 0 0 0 5.4143 2.9820 1.9042 H 0 0 0 0 0 4.5924 4.3746 2.6485 H 0 0 0 0 0 4.2989 2.7319 3.2690 H 0 0 0 0 0 0.5128 -5.7097 0.8286 H 0 0 0 0 0 1.2037 4.3597 -1.4078 H 0 0 0 0 0 -0.2550 3.7650 -2.2374 H 0 0 0 0 0 0.1499 3.1656 -0.6111 H 0 0 0 0 0 2.4675 3.6690 -3.5058 H 0 0 0 0 0 2.4290 1.9666 -4.0264 H 0 0 0 0 0 0.9817 2.9874 -4.2113 H 0 0 0 0 0 0.7558 1.4656 -2.2665 H 0 0 0 0 0 2.4305 -4.4824 -1.3281 H 0 0 0 0 0 1.0535 -5.6672 -1.6497 H 0 0 0 0 0 3.2202 1.3173 -1.7954 H 0 0 0 0 0 3.1616 2.9774 -1.1548 H 0 0 0 0 0 3.5226 3.7537 0.4990 H 0 0 0 0 0 -3.9260 0.3098 -1.2754 H 0 0 0 0 0 2.9271 -2.8556 -0.8442 H 0 0 0 0 0 3.6626 -0.5149 -0.6578 H 0 0 0 0 0 -1.0445 -1.7120 0.2112 H 0 0 0 0 0 -0.6017 -4.0046 -0.6830 H 0 0 0 0 0 -0.2235 1.7034 0.8686 H 0 0 0 0 0 4.1351 1.3248 0.6083 H 0 0 0 0 0 2.9206 1.1061 1.8910 H 0 0 0 0 0 2.1349 4.6922 2.3280 H 0 0 0 0 0 1.2065 3.5261 1.3548 H 0 0 0 0 0 1.8416 3.0505 2.9484 H 0 0 0 0 0 3.4741 -4.8799 2.8280 H 0 0 0 0 0 -2.4402 2.3987 1.1268 H 0 0 0 0 0 -6.3386 -0.1329 -1.4819 H 0 0 0 0 0 -7.0261 1.8206 2.2466 H 0 0 0 0 0 -4.6150 2.2587 2.4685 H 0 0 0 0 0 -8.5402 -0.4122 0.6970 H 0 0 0 0 0 -8.8637 1.3374 0.7385 H 0 0 0 0 0 -8.5764 0.5228 -0.8175 H 0 0 0 0 0 7 2 1 0 0 0 7 18 1 0 0 0 2 6 1 0 0 0 2 18 1 0 0 0 23 6 1 0 0 0 6 24 2 0 0 0 18 12 1 0 0 0 32 29 1 0 0 0 29 28 2 0 0 0 29 30 1 0 0 0 12 17 2 0 0 0 12 13 1 0 0 0 28 11 1 0 0 0 25 8 2 0 0 0 17 16 1 0 0 0 30 31 2 0 0 0 11 27 2 0 0 0 13 14 2 0 0 0 31 27 1 0 0 0 8 26 1 0 0 0 8 19 1 0 0 0 27 26 1 0 0 0 16 19 1 0 0 0 16 15 2 0 0 0 14 15 1 0 0 0 15 20 1 0 0 0 20 21 1 0 0 0 20 9 1 0 0 0 21 10 1 0 0 0 5 3 1 0 0 0 5 9 1 0 0 0 5 4 1 0 0 0 22 10 1 0 0 0 10 1 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 2 36 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 3 39 1 0 0 0 4 40 1 0 0 0 4 41 1 0 0 0 4 42 1 0 0 0 5 43 1 0 0 0 7 44 1 0 0 0 7 45 1 0 0 0 9 46 1 0 0 0 9 47 1 0 0 0 10 48 1 0 0 0 11 49 1 0 0 0 13 50 1 0 0 0 14 51 1 0 0 0 17 52 1 0 0 0 18 53 1 0 0 0 19 54 1 0 0 0 21 55 1 0 0 0 21 56 1 0 0 0 22 57 1 0 0 0 22 58 1 0 0 0 22 59 1 0 0 0 23 60 1 0 0 0 26 61 1 0 0 0 28 62 1 0 0 0 30 63 1 0 0 0 31 64 1 0 0 0 32 65 1 0 0 0 32 66 1 0 0 0 32 67 1 0 0 0 M END $$$$