J1E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 65 69 0 0 0 0 0 0 0 0999 V2000 -3.7730 -2.6100 0.0367 C 0 0 0 0 0 -1.2946 -1.3218 0.7600 C 0 0 0 0 0 1.5193 -1.1892 0.4072 C 0 0 0 0 0 3.9842 -1.2312 0.0028 C 0 0 0 0 0 8.4814 0.9361 -0.1967 C 0 0 0 0 0 9.1171 0.4808 0.9558 C 0 0 0 0 0 10.4058 0.8907 1.2389 C 0 0 0 0 0 10.4371 2.2074 -0.7682 C 0 0 0 0 0 -8.7568 1.8581 0.7714 C 0 0 0 0 0 -7.4652 1.6506 0.2922 C 0 0 0 0 0 -6.9476 2.4933 -0.6892 C 0 0 0 0 0 -7.7159 3.5281 -1.1841 C 0 0 0 0 0 -8.9977 3.7305 -0.7062 C 0 0 0 0 0 -9.5181 2.8971 0.2696 C 0 0 0 0 0 -6.6416 0.5370 0.8268 C 0 0 0 0 0 -5.3685 0.2100 0.4600 C 0 0 0 0 0 -2.4032 -3.2872 -0.0579 C 0 0 0 0 0 -3.7456 -1.5692 1.1600 C 0 0 0 0 0 -2.6210 -0.5668 0.8860 C 0 0 0 0 0 -2.4063 -4.2846 -1.2173 C 0 0 0 0 0 2.7475 -0.3343 0.0890 C 0 0 0 0 0 6.3154 -0.3355 0.2395 C 0 0 0 0 0 -10.7731 3.0961 0.7291 F 0 0 0 0 0 -6.9991 -0.3484 1.7736 N 0 0 0 0 0 -6.0204 -1.1586 1.9744 N 0 0 0 0 0 -5.0294 -0.8650 1.2081 N 0 0 0 0 0 5.1386 -0.4332 -0.4197 N 0 0 0 0 0 5.2027 0.2928 -1.4799 N 0 0 0 0 0 6.3511 0.8660 -1.5640 N 0 0 0 0 0 -1.3983 -2.2964 -0.2833 O 0 0 0 0 0 -4.0728 -1.9650 -1.2035 O 0 0 0 0 0 -1.1694 -5.0007 -1.2325 O 0 0 0 0 0 -2.5385 0.3664 1.9645 O 0 0 0 0 0 2.9340 0.6356 1.1213 O 0 0 0 0 0 0.0323 -0.1501 0.3634 S 0 0 0 0 0 7.0942 0.5037 -0.5030 C 0 0 0 0 0 11.0648 1.7535 0.3774 C 0 0 0 0 0 9.1495 1.8029 -1.0590 C 0 0 0 0 0 11.0244 0.4514 2.3562 F 0 0 0 0 0 -4.5356 -3.3585 0.2509 H 0 0 0 0 0 -1.0696 -1.8210 1.7026 H 0 0 0 0 0 1.4290 -1.9847 -0.3321 H 0 0 0 0 0 1.6287 -1.6260 1.4000 H 0 0 0 0 0 4.1844 -1.6696 0.9797 H 0 0 0 0 0 3.8081 -2.0251 -0.7226 H 0 0 0 0 0 8.6030 -0.1906 1.6281 H 0 0 0 0 0 10.9543 2.8795 -1.4355 H 0 0 0 0 0 -9.1639 1.2050 1.5288 H 0 0 0 0 0 -5.9462 2.3369 -1.0632 H 0 0 0 0 0 -7.3149 4.1814 -1.9445 H 0 0 0 0 0 -9.5951 4.5414 -1.0955 H 0 0 0 0 0 -4.7565 0.7070 -0.2769 H 0 0 0 0 0 -2.1937 -3.8116 0.8746 H 0 0 0 0 0 -3.5665 -2.0672 2.1131 H 0 0 0 0 0 -2.8264 -0.0345 -0.0432 H 0 0 0 0 0 -3.2301 -4.9868 -1.0904 H 0 0 0 0 0 -2.5278 -3.7490 -2.1581 H 0 0 0 0 0 2.6005 0.1733 -0.8650 H 0 0 0 0 0 6.5825 -0.8195 1.1675 H 0 0 0 0 0 -4.1055 -2.5652 -1.9607 H 0 0 0 0 0 -1.1003 -5.6517 -1.9430 H 0 0 0 0 0 -1.8421 1.0293 1.8588 H 0 0 0 0 0 3.0720 0.2551 1.9984 H 0 0 0 0 0 12.0716 2.0724 0.6014 H 0 0 0 0 0 8.6608 2.1573 -1.9544 H 0 0 0 0 0 25 24 2 0 0 0 25 26 1 0 0 0 33 19 1 0 0 0 24 15 1 0 0 0 26 18 1 0 0 0 26 16 1 0 0 0 18 19 1 0 0 0 18 1 1 0 0 0 2 19 1 0 0 0 2 35 1 0 0 0 2 30 1 0 0 0 3 35 1 0 0 0 3 21 1 0 0 0 17 1 1 0 0 0 17 30 1 0 0 0 17 20 1 0 0 0 4 21 1 0 0 0 4 27 1 0 0 0 1 31 1 0 0 0 15 16 2 0 0 0 15 10 1 0 0 0 11 10 2 0 0 0 11 12 1 0 0 0 32 20 1 0 0 0 21 34 1 0 0 0 28 27 1 0 0 0 28 29 2 0 0 0 27 22 1 0 0 0 10 9 1 0 0 0 12 13 2 0 0 0 29 36 1 0 0 0 22 36 2 0 0 0 9 14 2 0 0 0 13 14 1 0 0 0 36 5 1 0 0 0 14 23 1 0 0 0 5 38 2 0 0 0 5 6 1 0 0 0 38 8 1 0 0 0 6 7 2 0 0 0 8 37 2 0 0 0 7 37 1 0 0 0 7 39 1 0 0 0 1 40 1 0 0 0 2 41 1 0 0 0 3 42 1 0 0 0 3 43 1 0 0 0 4 44 1 0 0 0 4 45 1 0 0 0 6 46 1 0 0 0 8 47 1 0 0 0 9 48 1 0 0 0 11 49 1 0 0 0 12 50 1 0 0 0 13 51 1 0 0 0 16 52 1 0 0 0 17 53 1 0 0 0 18 54 1 0 0 0 19 55 1 0 0 0 20 56 1 0 0 0 20 57 1 0 0 0 21 58 1 0 0 0 22 59 1 0 0 0 31 60 1 0 0 0 32 61 1 0 0 0 33 62 1 0 0 0 34 63 1 0 0 0 37 64 1 0 0 0 38 65 1 0 0 0 M END $$$$