HEC Converted by convert_cif2sdf.py 2024/03/29 11:09:15 77 84 0 0 0 0 0 0 0 0999 V2000 16.2752 28.5274 76.8305 FE 0 0 0 0 0 12.8433 28.5556 76.7116 C 0 0 0 0 0 16.2356 25.1195 76.8040 C 0 0 0 0 0 19.7180 28.4983 76.7212 C 0 0 0 0 0 16.3163 31.8893 77.2463 C 0 0 0 0 0 14.8366 27.1298 76.7640 N 0 0 0 0 0 13.4710 27.3260 76.6877 C 0 0 0 0 0 12.8032 26.0450 76.5895 C 0 0 0 0 0 13.7451 25.0967 76.6203 C 0 0 0 0 0 15.0208 25.7568 76.7499 C 0 0 0 0 0 13.5778 23.5602 76.5558 C 0 0 0 0 0 11.2714 25.8916 76.4910 C 0 0 0 0 0 10.5740 25.8864 77.8676 C 0 0 0 0 0 9.0828 26.1247 77.7901 C 0 0 0 0 0 8.4369 25.9217 78.8532 O 0 0 0 0 0 8.6545 26.5105 76.6713 O 0 0 0 0 0 17.6837 27.1055 76.7897 N 0 0 0 0 0 17.4630 25.7380 76.7984 C 0 0 0 0 0 18.7263 25.0605 76.7610 C 0 0 0 0 0 19.6758 26.0049 76.7180 C 0 0 0 0 0 19.0444 27.2910 76.7318 C 0 0 0 0 0 18.8754 23.5211 76.7603 C 0 0 0 0 0 21.2165 25.7266 76.6710 C 0 0 0 0 0 21.5639 25.1664 75.4289 C 0 0 0 0 0 17.7142 29.9160 76.9456 N 0 0 0 0 0 19.0803 29.7115 76.8673 C 0 0 0 0 0 19.7835 30.9759 77.0491 C 0 0 0 0 0 18.8328 31.9069 77.1825 C 0 0 0 0 0 17.5466 31.2828 77.1449 C 0 0 0 0 0 21.3162 31.1319 77.0498 C 0 0 0 0 0 19.0808 33.4456 77.4442 C 0 0 0 0 0 19.4239 34.1485 76.3256 C 0 0 0 0 0 14.8507 29.9393 76.9600 N 0 0 0 0 0 15.0767 31.2920 77.1480 C 0 0 0 0 0 13.7978 31.9616 77.2058 C 0 0 0 0 0 12.8395 31.0520 77.0540 C 0 0 0 0 0 13.4917 29.7597 76.8749 C 0 0 0 0 0 13.6798 33.4937 77.4084 C 0 0 0 0 0 11.3096 31.2303 77.0473 C 0 0 0 0 0 10.5194 30.7666 75.8294 C 0 0 0 0 0 10.4248 31.7777 74.7222 C 0 0 0 0 0 11.4924 32.4231 74.5154 O 0 0 0 0 0 9.3325 31.8939 74.1043 O 0 0 0 0 0 11.7472 28.5779 76.5929 H 0 0 0 0 0 16.2245 24.0178 76.8567 H 0 0 0 0 0 20.8132 28.4940 76.5914 H 0 0 0 0 0 16.3246 32.9774 77.4279 H 0 0 0 0 0 14.3638 22.7700 76.5823 H 0 0 0 0 0 12.8713 23.3044 77.3796 H 0 0 0 0 0 12.9896 23.3648 75.6302 H 0 0 0 0 0 10.8356 26.6749 75.8281 H 0 0 0 0 0 10.9995 24.9837 75.9050 H 0 0 0 0 0 10.7941 24.9427 78.4185 H 0 0 0 0 0 11.0558 26.6196 78.5571 H 0 0 0 0 0 7.7183 26.6608 76.6234 H 0 0 0 0 0 19.8576 22.9947 76.7324 H 0 0 0 0 0 18.3221 23.1370 77.6491 H 0 0 0 0 0 18.2685 23.1325 75.9102 H 0 0 0 0 0 21.9854 25.9087 77.4416 H 0 0 0 0 0 22.6606 24.9690 75.3960 H 0 0 0 0 0 20.9666 24.2532 75.1999 H 0 0 0 0 0 21.2263 25.7994 74.5758 H 0 0 0 0 0 21.8542 32.0987 77.1893 H 0 0 0 0 0 21.7123 30.4278 77.8185 H 0 0 0 0 0 21.6870 30.6904 76.0969 H 0 0 0 0 0 19.0159 34.0163 78.3865 H 0 0 0 0 0 19.5991 35.2345 76.5109 H 0 0 0 0 0 20.3092 33.6876 75.8293 H 0 0 0 0 0 18.6626 34.0056 75.5241 H 0 0 0 0 0 12.6933 34.0113 77.4536 H 0 0 0 0 0 14.2436 33.7589 78.3335 H 0 0 0 0 0 14.2868 33.9894 76.6160 H 0 0 0 0 0 10.8863 30.7438 77.9576 H 0 0 0 0 0 11.0715 32.3025 77.2446 H 0 0 0 0 0 10.9324 29.8064 75.4429 H 0 0 0 0 0 9.5007 30.4292 76.1343 H 0 0 0 0 0 9.2724 32.5339 73.4050 H 0 0 0 0 0 1 6 1 0 0 0 1 17 1 0 0 0 1 25 1 0 0 0 1 33 1 0 0 0 2 7 2 0 0 0 2 37 1 0 0 0 2 44 1 0 0 0 3 10 2 0 0 0 3 18 1 0 0 0 3 45 1 0 0 0 4 21 2 0 0 0 4 26 1 0 0 0 4 46 1 0 0 0 5 29 2 0 0 0 5 34 1 0 0 0 5 47 1 0 0 0 6 7 1 0 0 0 6 10 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 12 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 11 48 1 0 0 0 11 49 1 0 0 0 11 50 1 0 0 0 12 13 1 0 0 0 12 51 1 0 0 0 12 52 1 0 0 0 13 14 1 0 0 0 13 53 1 0 0 0 13 54 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 55 1 0 0 0 17 18 1 0 0 0 17 21 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 20 23 2 0 0 0 22 56 1 0 0 0 22 57 1 0 0 0 22 58 1 0 0 0 23 24 1 0 0 0 23 59 1 0 0 0 24 60 1 0 0 0 24 61 1 0 0 0 24 62 1 0 0 0 25 26 1 0 0 0 25 29 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 27 30 1 0 0 0 28 29 1 0 0 0 28 31 2 0 0 0 30 63 1 0 0 0 30 64 1 0 0 0 30 65 1 0 0 0 31 32 1 0 0 0 31 66 1 0 0 0 32 67 1 0 0 0 32 68 1 0 0 0 32 69 1 0 0 0 33 34 1 0 0 0 33 37 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 35 38 1 0 0 0 36 37 2 0 0 0 36 39 1 0 0 0 38 70 1 0 0 0 38 71 1 0 0 0 38 72 1 0 0 0 39 40 1 0 0 0 39 73 1 0 0 0 39 74 1 0 0 0 40 41 1 0 0 0 40 75 1 0 0 0 40 76 1 0 0 0 41 42 2 0 0 0 41 43 1 0 0 0 43 77 1 0 0 0 M END $$$$