C1I Converted by convert_cif2sdf.py 2024/03/29 11:09:15 71 77 0 0 0 0 0 0 0 0999 V2000 -6.2212 -1.2889 -1.1812 C 0 0 0 0 0 -5.9970 -1.2838 0.2698 N 0 0 0 0 0 -5.9182 -2.6529 0.7963 C 0 0 0 0 0 -4.7908 -0.5173 0.6131 C 0 0 0 0 0 -3.6239 -0.9913 -0.2467 C 0 0 0 0 0 -2.3518 -0.2296 0.0562 C 0 0 0 0 0 -1.5770 -0.9041 1.2111 C 0 0 0 0 0 -0.0916 -0.7169 0.8108 C 0 0 0 0 0 -0.1805 0.0436 -0.5215 C 0 0 0 0 0 -1.4549 -0.3236 -1.0806 O 0 0 0 0 0 -0.2363 1.5336 -0.2387 C 0 0 0 0 0 -1.5297 2.0732 0.2310 C 0 0 0 0 0 -2.5551 1.2194 0.3824 C 0 0 0 0 0 -3.8553 1.7627 0.9056 C 0 0 0 0 0 -3.9819 3.1333 0.5207 O 0 0 0 0 0 -5.0336 0.9709 0.3424 C 0 0 0 0 0 -6.2408 1.3844 0.9852 O 0 0 0 0 0 0.8087 2.3183 -0.3989 C 0 0 0 0 0 2.1727 1.8555 -0.8319 C 0 0 0 0 0 2.2495 0.3491 -0.7888 C 0 0 0 0 0 2.3422 -0.1177 0.6649 C 0 0 0 0 0 3.3710 -0.2919 -1.6037 C 0 0 0 0 0 2.8066 -1.6488 -2.0888 C 0 0 0 0 0 1.3373 -1.7161 -1.5939 C 0 0 0 0 0 0.9706 -0.2399 -1.4412 C 0 0 0 0 0 4.5836 -0.5113 -0.7374 C 0 0 0 0 0 5.6704 0.2954 -0.8897 C 0 0 0 0 0 6.8015 0.0929 -0.0833 C 0 0 0 0 0 7.9502 0.8931 -0.1949 C 0 0 0 0 0 8.9833 0.6652 0.5820 N 0 0 0 0 0 9.0008 -0.3026 1.4880 C 0 0 0 0 0 7.9372 -1.1331 1.6744 C 0 0 0 0 0 6.7915 -0.9510 0.8783 C 0 0 0 0 0 5.6555 -1.7621 1.0070 C 0 0 0 0 0 4.5734 -1.5320 0.2111 C 0 0 0 0 0 -7.1964 -1.7265 -1.3967 H 0 0 0 0 0 -6.1912 -0.2666 -1.5575 H 0 0 0 0 0 -5.4438 -1.8785 -1.6670 H 0 0 0 0 0 -5.0936 -3.1793 0.3169 H 0 0 0 0 0 -5.7515 -2.6189 1.8733 H 0 0 0 0 0 -6.8521 -3.1759 0.5896 H 0 0 0 0 0 -4.5522 -0.6654 1.6666 H 0 0 0 0 0 -3.4543 -2.0520 -0.0620 H 0 0 0 0 0 -3.8788 -0.8520 -1.2970 H 0 0 0 0 0 -5.1095 1.1405 -0.7311 H 0 0 0 0 0 -1.7865 -0.4036 2.1568 H 0 0 0 0 0 -1.8268 -1.9636 1.2727 H 0 0 0 0 0 0.4361 -0.1234 1.5588 H 0 0 0 0 0 0.3949 -1.6820 0.6718 H 0 0 0 0 0 0.7976 0.2272 -2.4102 H 0 0 0 0 0 -1.6471 3.1251 0.4462 H 0 0 0 0 0 0.6764 3.3726 -0.2057 H 0 0 0 0 0 -3.8631 1.6930 1.9936 H 0 0 0 0 0 -4.7992 3.5530 0.8233 H 0 0 0 0 0 -6.4555 2.3185 0.8549 H 0 0 0 0 0 2.3647 2.1983 -1.8491 H 0 0 0 0 0 2.9258 2.2747 -0.1636 H 0 0 0 0 0 1.7206 0.5220 1.2917 H 0 0 0 0 0 1.9933 -1.1478 0.7389 H 0 0 0 0 0 3.3780 -0.0598 0.9995 H 0 0 0 0 0 3.6247 0.3380 -2.4568 H 0 0 0 0 0 2.8376 -1.6994 -3.1770 H 0 0 0 0 0 3.3836 -2.4687 -1.6592 H 0 0 0 0 0 0.7014 -2.1907 -2.3410 H 0 0 0 0 0 1.2762 -2.2443 -0.6425 H 0 0 0 0 0 5.6623 1.0857 -1.6261 H 0 0 0 0 0 3.6967 -2.1546 0.3132 H 0 0 0 0 0 7.9835 1.6939 -0.9183 H 0 0 0 0 0 9.8836 -0.4368 2.0960 H 0 0 0 0 0 7.9726 -1.9157 2.4175 H 0 0 0 0 0 5.6353 -2.5598 1.7347 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 4 16 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 10 1 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 25 1 0 0 0 11 12 1 0 0 0 11 18 2 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 25 1 0 0 0 22 23 1 0 0 0 22 26 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 26 27 1 0 0 0 26 35 2 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 28 33 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 1 36 1 0 0 0 1 37 1 0 0 0 1 38 1 0 0 0 3 39 1 0 0 0 3 40 1 0 0 0 3 41 1 0 0 0 4 42 1 0 0 0 5 43 1 0 0 0 5 44 1 0 0 0 16 45 1 0 0 0 7 46 1 0 0 0 7 47 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 25 50 1 0 0 0 12 51 1 0 0 0 18 52 1 0 0 0 14 53 1 0 0 0 15 54 1 0 0 0 17 55 1 0 0 0 19 56 1 0 0 0 19 57 1 0 0 0 21 58 1 0 0 0 21 59 1 0 0 0 21 60 1 0 0 0 22 61 1 0 0 0 23 62 1 0 0 0 23 63 1 0 0 0 24 64 1 0 0 0 24 65 1 0 0 0 27 66 1 0 0 0 35 67 1 0 0 0 29 68 1 0 0 0 31 69 1 0 0 0 32 70 1 0 0 0 34 71 1 0 0 0 M END $$$$