BCJM04 -OEChem-04042105173D 46 49 0 1 0 0 0 0 0999 V2000 4.8921 0.6437 -2.5080 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.5555 1.1189 1.2861 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 1.6135 -0.8149 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.6933 0.0209 -0.2063 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 -1.0207 2.4090 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 -1.0349 -0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 -0.0019 -0.0324 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.0571 -0.1484 0.1089 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 2.6007 0.2719 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2058 -2.2625 -0.4072 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4785 -1.7152 -0.3925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -0.0592 0.2860 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7613 1.3413 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 1.2670 0.4509 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8703 -0.9869 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 0.2409 -0.5170 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9786 0.9419 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 -1.3495 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 1.1193 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -1.3014 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 0.0176 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3646 -0.4417 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 0.2357 -1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 -0.4069 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4506 0.5462 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -0.6131 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 0.0294 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -0.3950 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 -0.4435 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 1.8149 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3712 1.9950 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4411 0.9546 1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -2.0226 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -0.6788 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 0.5764 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 1.9529 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9393 0.5906 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.8343 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -1.9874 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0175 1.6025 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 1.7285 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 2.5833 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 3.2512 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -0.5939 1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 0.1993 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1693 -0.5558 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 22 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$