F1E Converted by convert_cif2sdf.py 2024/03/29 11:09:15 47 48 0 0 0 0 0 0 0 0999 V2000 -3.5628 -0.3246 -1.0051 O 0 0 0 0 0 -3.6381 -1.0127 -0.0148 C 0 0 0 0 0 -4.7902 -1.6308 0.2878 O 0 0 0 0 0 -5.9054 -1.4267 -0.6202 C 0 0 0 0 0 -7.1228 -2.2037 -0.1147 C 0 0 0 0 0 -2.4355 -1.1832 0.8771 C 0 0 0 0 0 -1.3107 -0.4189 0.3312 N 0 0 0 0 0 -0.1220 -0.4233 0.9674 C 0 0 0 0 0 0.0168 -1.0600 1.9932 O 0 0 0 0 0 0.9127 0.2790 0.4651 N 0 0 0 0 0 0.7461 1.0474 -0.7718 C 0 0 0 0 0 0.2867 2.4437 -0.4378 C 0 0 0 0 0 1.0670 3.5397 -0.2942 C 0 0 0 0 0 0.2309 4.5616 0.0019 N 0 0 0 0 0 0.6267 5.9514 0.2454 C 0 0 0 0 0 -0.9713 4.1028 0.0326 N 0 0 0 0 0 -0.9731 2.8435 -0.2317 N 0 0 0 0 0 2.2052 0.2757 1.1561 C 0 0 0 0 0 3.0494 -0.8593 0.6354 C 0 0 0 0 0 3.8885 -0.6544 -0.4449 C 0 0 0 0 0 4.6634 -1.6918 -0.9241 C 0 0 0 0 0 4.6001 -2.9412 -0.3209 C 0 0 0 0 0 5.3829 -3.9930 -0.8028 N 0 0 0 0 0 3.7563 -3.1433 0.7643 C 0 0 0 0 0 2.9875 -2.0998 1.2425 C 0 0 0 0 0 -6.1465 -0.3646 -0.6666 H 0 0 0 0 0 -5.6352 -1.7823 -1.6139 H 0 0 0 0 0 -7.3940 -1.8479 0.8799 H 0 0 0 0 0 -7.9598 -2.0495 -0.7955 H 0 0 0 0 0 -6.8827 -3.2656 -0.0684 H 0 0 0 0 0 -2.6700 -0.8188 1.8779 H 0 0 0 0 0 -2.1671 -2.2383 0.9285 H 0 0 0 0 0 -1.4212 0.0891 -0.4866 H 0 0 0 0 0 1.6973 1.0941 -1.3017 H 0 0 0 0 0 0.0022 0.5615 -1.4032 H 0 0 0 0 0 2.1415 3.5889 -0.3952 H 0 0 0 0 0 0.6201 6.5004 -0.6965 H 0 0 0 0 0 -0.0753 6.4118 0.9395 H 0 0 0 0 0 1.6286 5.9739 0.6726 H 0 0 0 0 0 2.7156 1.2210 0.9758 H 0 0 0 0 0 2.0441 0.1472 2.2259 H 0 0 0 0 0 3.9374 0.3165 -0.9143 H 0 0 0 0 0 5.3187 -1.5325 -1.7688 H 0 0 0 0 0 5.9719 -3.8510 -1.5606 H 0 0 0 0 0 5.3379 -4.8643 -0.3805 H 0 0 0 0 0 3.7046 -4.1127 1.2356 H 0 0 0 0 0 2.3316 -2.2560 2.0861 H 0 0 0 0 0 23 22 1 0 0 0 22 21 2 0 0 0 22 24 1 0 0 0 21 20 1 0 0 0 24 25 2 0 0 0 20 19 2 0 0 0 25 19 1 0 0 0 19 18 1 0 0 0 18 10 1 0 0 0 9 8 2 0 0 0 10 8 1 0 0 0 10 11 1 0 0 0 8 7 1 0 0 0 1 2 2 0 0 0 4 5 1 0 0 0 4 3 1 0 0 0 11 12 1 0 0 0 13 12 2 0 0 0 13 14 1 0 0 0 2 3 1 0 0 0 2 6 1 0 0 0 12 17 1 0 0 0 7 6 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 17 16 2 0 0 0 4 26 1 0 0 0 4 27 1 0 0 0 5 28 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 6 32 1 0 0 0 7 33 1 0 0 0 11 34 1 0 0 0 11 35 1 0 0 0 13 36 1 0 0 0 15 37 1 0 0 0 15 38 1 0 0 0 15 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 20 42 1 0 0 0 21 43 1 0 0 0 23 44 1 0 0 0 23 45 1 0 0 0 24 46 1 0 0 0 25 47 1 0 0 0 M END $$$$