JK4 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 56 58 0 0 0 0 0 0 0 0999 V2000 -5.4417 -0.4733 0.9346 N 0 0 0 0 0 -6.5139 -1.2425 1.0397 C 0 0 0 0 0 -7.5826 -0.8312 1.8286 N 0 0 0 0 0 -6.5821 -2.4580 0.3667 C 0 0 0 0 0 -5.5128 -2.8540 -0.4157 C 0 0 0 0 0 -4.4064 -2.0188 -0.4988 C 0 0 0 0 0 -4.4072 -0.8256 0.1960 C 0 0 0 0 0 -5.5458 -4.1644 -1.1601 C 0 0 0 0 0 -3.2099 0.0854 0.1095 C 0 0 0 0 0 -1.2844 1.7911 0.1193 O 0 0 0 0 0 -3.6452 2.7217 -2.3954 N 0 0 0 0 0 -0.3338 2.6535 0.7483 C 0 0 0 0 0 0.8870 1.8379 1.1789 C 0 0 0 0 0 1.5679 1.3103 -0.0109 N 0 0 0 0 0 2.7484 0.5201 0.3653 C 0 0 0 0 0 3.4286 -0.0121 -0.8977 C 0 0 0 0 0 2.5328 -0.8194 -1.6065 F 0 0 0 0 0 3.8246 1.0630 -1.7017 F 0 0 0 0 0 -2.3065 2.9261 -1.7843 C 0 0 0 0 0 4.6398 -0.8228 -0.5125 C 0 0 0 0 0 5.4207 -1.4077 -1.4925 C 0 0 0 0 0 5.0990 -1.2540 -2.7956 F 0 0 0 0 0 6.5349 -2.1536 -1.1359 C 0 0 0 0 0 7.2996 -2.7256 -2.0917 F 0 0 0 0 0 6.8622 -2.3094 0.1989 C 0 0 0 0 0 6.0800 -1.7236 1.1760 C 0 0 0 0 0 4.9721 -0.9759 0.8208 C 0 0 0 0 0 -2.4692 2.4569 -0.3228 C 0 0 0 0 0 -3.6584 1.4752 -0.3473 C 0 0 0 0 0 -4.1136 1.4339 -1.8223 C 0 0 0 0 0 -7.5397 0.0165 2.2994 H 0 0 0 0 0 -8.3707 -1.3915 1.9080 H 0 0 0 0 0 -7.4579 -3.0840 0.4540 H 0 0 0 0 0 -3.5547 -2.2993 -1.0998 H 0 0 0 0 0 -5.9720 -4.0083 -2.1507 H 0 0 0 0 0 -4.5323 -4.5532 -1.2568 H 0 0 0 0 0 -6.1577 -4.8792 -0.6093 H 0 0 0 0 0 -2.7383 0.1597 1.0889 H 0 0 0 0 0 -2.4956 -0.3196 -0.6080 H 0 0 0 0 0 -4.2716 3.4750 -2.1536 H 0 0 0 0 0 -0.0241 3.4266 0.0457 H 0 0 0 0 0 -0.7873 3.1181 1.6236 H 0 0 0 0 0 1.5723 2.4767 1.7369 H 0 0 0 0 0 0.5658 1.0098 1.8109 H 0 0 0 0 0 0.9350 0.7674 -0.5786 H 0 0 0 0 0 3.4455 1.1489 0.9165 H 0 0 0 0 0 2.4401 -0.3170 0.9914 H 0 0 0 0 0 -1.5585 2.3222 -2.2967 H 0 0 0 0 0 -2.0309 3.9804 -1.8167 H 0 0 0 0 0 7.7294 -2.8903 0.4778 H 0 0 0 0 0 6.3359 -1.8458 2.2188 H 0 0 0 0 0 4.3650 -0.5154 1.5853 H 0 0 0 0 0 -2.6905 3.3055 0.3250 H 0 0 0 0 0 -4.4646 1.8405 0.2892 H 0 0 0 0 0 -5.2002 1.3642 -1.8825 H 0 0 0 0 0 -3.6493 0.5949 -2.3404 H 0 0 0 0 0 1 2 2 0 0 0 1 7 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 5 8 1 0 0 0 6 7 2 0 0 0 7 9 1 0 0 0 9 29 1 0 0 0 10 12 1 0 0 0 10 28 1 0 0 0 11 19 1 0 0 0 11 30 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 20 1 0 0 0 19 28 1 0 0 0 20 21 2 0 0 0 20 27 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 6 34 1 0 0 0 8 35 1 0 0 0 8 36 1 0 0 0 8 37 1 0 0 0 9 38 1 0 0 0 9 39 1 0 0 0 11 40 1 0 0 0 12 41 1 0 0 0 12 42 1 0 0 0 13 43 1 0 0 0 13 44 1 0 0 0 14 45 1 0 0 0 15 46 1 0 0 0 15 47 1 0 0 0 19 48 1 0 0 0 19 49 1 0 0 0 25 50 1 0 0 0 26 51 1 0 0 0 27 52 1 0 0 0 28 53 1 0 0 0 29 54 1 0 0 0 30 55 1 0 0 0 30 56 1 0 0 0 M END $$$$