FQE Converted by convert_cif2sdf.py 2024/03/29 11:09:15 68 72 0 0 0 0 0 0 0 0999 V2000 5.8979 1.3051 -0.0047 C 0 0 0 0 0 4.4407 -0.6801 -0.2892 C 0 0 0 0 0 -12.2739 0.0070 -1.3721 N 0 0 0 0 0 2.3952 -2.1428 0.8591 C 0 0 0 0 0 4.7345 -1.7173 0.5755 C 0 0 0 0 0 0.6665 -0.7728 -0.3233 C 0 0 0 0 0 -0.0151 -1.9905 -0.9535 C 0 0 0 0 0 -1.4866 -1.6660 -1.2168 C 0 0 0 0 0 -4.2754 -1.0122 1.2174 C 0 0 0 0 0 -5.7580 -0.8239 1.0199 C 0 0 0 0 0 -6.3989 0.3598 0.8865 C 0 0 0 0 0 -10.6964 2.9504 0.2394 C 0 0 0 0 0 -10.9280 1.6662 -0.2530 C 0 0 0 0 0 -9.9253 0.6848 -0.0985 C 0 0 0 0 0 -11.2570 -0.8723 -1.1742 C 0 0 0 0 0 -12.1704 1.2872 -0.9408 C 0 0 0 0 0 -1.5388 -0.1186 0.6464 C 0 0 0 0 0 -13.0695 2.0896 -1.1140 O 0 0 0 0 0 -9.4960 3.2077 0.8698 C 0 0 0 0 0 -8.5765 2.2693 1.0128 N 0 0 0 0 0 -10.1473 -0.5618 -0.5750 N 0 0 0 0 0 -8.7348 1.0402 0.5574 C 0 0 0 0 0 -7.7216 0.0954 0.7280 N 0 0 0 0 0 -7.8879 -1.2958 0.7666 N 0 0 0 0 0 -6.7127 -1.8446 0.9359 C 0 0 0 0 0 -3.5902 -1.1306 -0.1450 C 0 0 0 0 0 -2.1455 -1.3137 0.0472 N 0 0 0 0 0 -0.0685 -0.3967 0.9662 C 0 0 0 0 0 2.1014 -1.1057 -0.0065 C 0 0 0 0 0 3.1236 -0.3748 -0.5802 C 0 0 0 0 0 3.7112 -2.4491 1.1502 C 0 0 0 0 0 5.5552 0.1214 -0.9107 C 0 0 0 0 0 6.9845 2.0866 -0.6102 N 0 0 0 0 0 5.0184 1.9378 0.1151 H 0 0 0 0 0 6.2156 0.9368 0.9712 H 0 0 0 0 0 -13.0780 -0.2825 -1.8308 H 0 0 0 0 0 1.5964 -2.7149 1.3079 H 0 0 0 0 0 5.7624 -1.9567 0.8022 H 0 0 0 0 0 0.6318 0.0654 -1.0200 H 0 0 0 0 0 0.4777 -2.2373 -1.8942 H 0 0 0 0 0 0.0542 -2.8390 -0.2722 H 0 0 0 0 0 -1.5553 -0.8271 -1.9086 H 0 0 0 0 0 -1.9781 -2.5359 -1.6520 H 0 0 0 0 0 -3.8700 -0.1558 1.7554 H 0 0 0 0 0 -4.0981 -1.9204 1.7930 H 0 0 0 0 0 -5.9411 1.3378 0.9039 H 0 0 0 0 0 -11.4388 3.7257 0.1290 H 0 0 0 0 0 -11.3785 -1.8840 -1.5337 H 0 0 0 0 0 -1.6077 0.7138 -0.0540 H 0 0 0 0 0 -2.0682 0.1356 1.5656 H 0 0 0 0 0 -9.3045 4.1978 1.2557 H 0 0 0 0 0 -6.5137 -2.9040 1.0014 H 0 0 0 0 0 -3.9967 -1.9869 -0.6830 H 0 0 0 0 0 -3.7676 -0.2224 -0.7217 H 0 0 0 0 0 -0.0002 -1.2194 1.6771 H 0 0 0 0 0 0.3859 0.4956 1.3971 H 0 0 0 0 0 2.8946 0.4368 -1.2556 H 0 0 0 0 0 3.9404 -3.2597 1.8256 H 0 0 0 0 0 5.2375 0.4897 -1.8857 H 0 0 0 0 0 6.4347 -0.5113 -1.0295 H 0 0 0 0 0 7.1815 3.3557 0.1034 C 0 0 0 0 0 8.2299 1.3092 -0.6551 C 0 0 0 0 0 7.4358 3.1523 1.1440 H 0 0 0 0 0 7.9918 3.9142 -0.3656 H 0 0 0 0 0 6.2636 3.9419 0.0616 H 0 0 0 0 0 8.0750 0.4079 -1.2482 H 0 0 0 0 0 9.0179 1.9116 -1.1076 H 0 0 0 0 0 8.5222 1.0313 0.3578 H 0 0 0 0 0 33 1 1 0 0 0 1 32 1 0 0 0 32 2 1 0 0 0 5 2 2 0 0 0 5 31 1 0 0 0 2 30 1 0 0 0 31 4 2 0 0 0 30 29 2 0 0 0 4 29 1 0 0 0 29 6 1 0 0 0 6 28 1 0 0 0 6 7 1 0 0 0 28 17 1 0 0 0 7 8 1 0 0 0 17 27 1 0 0 0 8 27 1 0 0 0 27 26 1 0 0 0 26 9 1 0 0 0 9 10 1 0 0 0 10 25 1 0 0 0 10 11 2 0 0 0 25 24 2 0 0 0 11 23 1 0 0 0 24 23 1 0 0 0 23 22 1 0 0 0 21 15 2 0 0 0 21 14 1 0 0 0 22 14 2 0 0 0 22 20 1 0 0 0 15 3 1 0 0 0 14 13 1 0 0 0 20 19 2 0 0 0 3 16 1 0 0 0 13 16 1 0 0 0 13 12 2 0 0 0 19 12 1 0 0 0 16 18 2 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 3 36 1 0 0 0 4 37 1 0 0 0 5 38 1 0 0 0 6 39 1 0 0 0 7 40 1 0 0 0 7 41 1 0 0 0 8 42 1 0 0 0 8 43 1 0 0 0 9 44 1 0 0 0 9 45 1 0 0 0 11 46 1 0 0 0 12 47 1 0 0 0 15 48 1 0 0 0 17 49 1 0 0 0 17 50 1 0 0 0 19 51 1 0 0 0 25 52 1 0 0 0 26 53 1 0 0 0 26 54 1 0 0 0 28 55 1 0 0 0 28 56 1 0 0 0 30 57 1 0 0 0 31 58 1 0 0 0 32 59 1 0 0 0 32 60 1 0 0 0 33 61 1 0 0 0 33 62 1 0 0 0 61 63 1 0 0 0 61 64 1 0 0 0 61 65 1 0 0 0 62 66 1 0 0 0 62 67 1 0 0 0 62 68 1 0 0 0 M END $$$$