CEH Converted by convert_cif2sdf.py 2025/05/30 17:23:43 94 95 0 0 0 0 0 0 0 0999 V2000 24.7284 -7.6901 41.2403 S 0 0 0 0 0 22.9581 -7.3659 40.9008 C 0 0 0 0 0 22.2243 -7.3955 42.0227 C 0 0 0 0 0 22.8940 -7.1366 43.5375 C 0 0 0 0 0 23.9515 -6.8941 43.7397 N 0 0 0 0 0 24.8025 -6.6527 42.6310 C 0 0 0 0 0 20.7941 -7.7367 41.9473 C 0 0 0 0 0 21.9329 -7.2328 44.7011 C 0 0 0 0 0 22.1927 -6.5942 45.7313 O 0 0 0 0 0 20.9025 -7.9339 44.7315 O 0 0 0 0 0 26.3684 -6.1519 45.5480 O 0 0 0 0 0 26.8014 -7.8311 43.4043 N 0 0 0 0 0 26.2722 -6.5871 43.1297 C 0 0 0 0 0 26.2403 -5.6912 44.4553 C 0 0 0 0 0 27.8674 -8.5171 42.7835 C 0 0 0 0 0 28.2909 -9.6528 43.0794 C 0 0 0 0 0 28.0507 -10.8012 41.9348 C 0 0 0 0 0 27.5596 -10.3179 40.7518 C 0 0 0 0 0 27.3063 -11.2159 39.7262 C 0 0 0 0 0 27.5665 -12.5674 39.9121 C 0 0 0 0 0 28.1163 -13.0106 41.1095 C 0 0 0 0 0 28.2834 -12.1169 42.1538 C 0 0 0 0 0 28.3469 -7.7108 41.7786 O 0 0 0 0 0 21.0065 -9.2117 41.8016 C 0 0 0 0 0 19.9309 -10.0646 41.1828 C 0 0 0 0 0 20.5730 -11.4222 41.2666 C 0 0 0 0 0 18.6485 -9.8434 41.8663 N 0 0 0 0 0 21.5107 -11.7641 40.5569 O 0 0 0 0 0 20.0822 -12.3201 42.2200 N 0 0 0 0 0 17.4630 -10.3404 41.2873 C 0 0 0 0 0 17.8084 -11.0336 40.3103 O 0 0 0 0 0 16.3301 -9.7994 42.1432 C 0 0 0 0 0 25.4324 -15.0614 43.1240 C 0 0 0 0 0 20.8629 -13.5380 42.4649 C 0 0 0 0 0 19.9616 -14.4215 43.3337 C 0 0 0 0 0 22.1488 -13.1693 43.1386 C 0 0 0 0 0 22.2482 -12.2002 43.8090 O 0 0 0 0 0 23.1527 -14.0855 42.8438 N 0 0 0 0 0 24.4092 -13.9946 43.5557 C 0 0 0 0 0 24.2831 -14.3509 45.0177 C 0 0 0 0 0 23.2082 -14.8310 45.4371 O 0 0 0 0 0 25.3064 -14.2028 45.6791 O 0 0 0 0 0 14.9610 -10.0836 41.4906 C 0 0 0 0 0 13.8625 -9.4551 42.4041 C 0 0 0 0 0 14.2711 -9.8572 43.8531 C 0 0 0 0 0 12.5210 -9.8634 42.0742 N 0 0 0 0 0 11.6981 -10.8198 42.5805 C 0 0 0 0 0 14.5988 -11.0545 44.0437 O 0 0 0 0 0 14.2395 -8.9363 44.6998 O 0 0 0 0 0 26.1155 -4.4094 44.1525 O 0 0 0 0 0 10.2276 -10.4552 42.8220 C 0 0 0 0 0 11.8625 -11.9765 42.2335 O 0 0 0 0 0 22.8192 -6.4064 40.3494 H 0 0 0 0 0 22.5564 -8.0675 40.1342 H 0 0 0 0 0 24.3580 -7.6280 44.3201 H 0 0 0 0 0 24.4013 -5.6920 42.2317 H 0 0 0 0 0 20.1338 -7.3871 42.7758 H 0 0 0 0 0 20.1791 -7.2219 41.1724 H 0 0 0 0 0 20.2993 -7.9944 45.4630 H 0 0 0 0 0 26.3391 -8.3108 44.1765 H 0 0 0 0 0 26.9270 -6.1550 42.3368 H 0 0 0 0 0 29.3711 -9.6013 43.3532 H 0 0 0 0 0 27.8592 -9.9829 44.0533 H 0 0 0 0 0 27.3736 -9.2367 40.6294 H 0 0 0 0 0 26.8991 -10.8558 38.7667 H 0 0 0 0 0 27.3371 -13.2880 39.1096 H 0 0 0 0 0 28.4186 -14.0639 41.2304 H 0 0 0 0 0 28.6006 -12.4513 43.1564 H 0 0 0 0 0 21.9568 -9.3787 41.2428 H 0 0 0 0 0 21.2610 -9.6325 42.8018 H 0 0 0 0 0 19.6275 -9.8543 40.1314 H 0 0 0 0 0 18.5809 -9.3399 42.7517 H 0 0 0 0 0 19.2119 -12.1001 42.7050 H 0 0 0 0 0 16.3785 -10.1908 43.1861 H 0 0 0 0 0 16.4634 -8.7140 42.3644 H 0 0 0 0 0 26.4010 -14.9908 43.6727 H 0 0 0 0 0 24.9993 -16.0846 43.2151 H 0 0 0 0 0 25.5982 -15.0270 42.0221 H 0 0 0 0 0 21.1492 -14.0834 41.5361 H 0 0 0 0 0 20.5547 -15.3464 43.5202 H 0 0 0 0 0 19.6016 -13.9220 44.2635 H 0 0 0 0 0 18.9554 -14.6110 42.8925 H 0 0 0 0 0 22.9750 -14.7950 42.1339 H 0 0 0 0 0 24.7142 -12.9416 43.3480 H 0 0 0 0 0 25.2271 -14.4263 46.5999 H 0 0 0 0 0 14.9020 -9.7289 40.4352 H 0 0 0 0 0 14.7921 -11.1667 41.2921 H 0 0 0 0 0 13.8223 -8.3488 42.2696 H 0 0 0 0 0 12.0517 -9.3662 41.3172 H 0 0 0 0 0 14.8480 -11.2989 44.9274 H 0 0 0 0 0 26.0139 -4.0415 43.2824 H 0 0 0 0 0 9.5528 -11.2388 43.2381 H 0 0 0 0 0 10.1784 -9.5498 43.4724 H 0 0 0 0 0 9.7899 -10.0603 41.8756 H 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 2 53 1 0 0 0 2 54 1 0 0 0 3 4 2 0 0 0 3 7 1 0 0 0 4 5 1 0 0 0 4 8 1 0 0 0 5 6 1 0 0 0 5 55 1 0 0 0 6 13 1 0 0 0 6 56 1 0 0 0 7 24 1 0 0 0 7 57 1 0 0 0 7 58 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 10 59 1 0 0 0 11 14 2 0 0 0 12 13 1 0 0 0 12 15 1 0 0 0 12 60 1 0 0 0 13 14 1 0 0 0 13 61 1 0 0 0 14 50 1 0 0 0 15 16 1 0 0 0 15 23 2 0 0 0 16 17 1 0 0 0 16 62 1 0 0 0 16 63 1 0 0 0 17 18 2 0 0 0 17 22 1 0 0 0 18 19 1 0 0 0 18 64 1 0 0 0 19 20 2 0 0 0 19 65 1 0 0 0 20 21 1 0 0 0 20 66 1 0 0 0 21 22 2 0 0 0 21 67 1 0 0 0 22 68 1 0 0 0 24 25 1 0 0 0 24 69 1 0 0 0 24 70 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 25 71 1 0 0 0 26 28 2 0 0 0 26 29 1 0 0 0 27 30 1 0 0 0 27 72 1 0 0 0 29 34 1 0 0 0 29 73 1 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 32 43 1 0 0 0 32 74 1 0 0 0 32 75 1 0 0 0 33 39 1 0 0 0 33 76 1 0 0 0 33 77 1 0 0 0 33 78 1 0 0 0 34 35 1 0 0 0 34 36 1 0 0 0 34 79 1 0 0 0 35 80 1 0 0 0 35 81 1 0 0 0 35 82 1 0 0 0 36 37 2 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 38 83 1 0 0 0 39 40 1 0 0 0 39 84 1 0 0 0 40 41 2 0 0 0 40 42 1 0 0 0 42 85 1 0 0 0 43 44 1 0 0 0 43 86 1 0 0 0 43 87 1 0 0 0 44 45 1 0 0 0 44 46 1 0 0 0 44 88 1 0 0 0 45 48 1 0 0 0 45 49 2 0 0 0 46 47 1 0 0 0 46 89 1 0 0 0 47 51 1 0 0 0 47 52 2 0 0 0 48 90 1 0 0 0 50 91 1 0 0 0 51 92 1 0 0 0 51 93 1 0 0 0 51 94 1 0 0 0 M END $$$$