BZ3KT5 -OEChem-04012115003D 42 42 0 0 0 0 0 0 0999 V2000 0.4513 -1.5343 0.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 -0.3187 2.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5033 0.4085 -1.3928 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 -0.1579 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 1.1932 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -1.2895 -0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 1.6400 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 -2.0131 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -1.6087 -1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0298 2.2967 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7632 -1.8459 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 2.7482 1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 2.6525 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6408 -0.5081 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -0.7600 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 0.2669 1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9739 -1.0452 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8291 0.5046 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 -0.8075 -1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1623 -0.0325 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4542 0.2109 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3427 -0.4195 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7959 -0.0381 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.1519 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 1.9462 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 1.3696 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -2.8145 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -0.7968 -2.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 -2.5226 -2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 -1.7602 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 -1.0978 1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 -2.8008 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 2.4533 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 2.3150 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 3.8391 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 2.2930 -1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5613 3.7394 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 2.2113 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 0.6949 2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2825 -1.6532 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5415 1.1108 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4801 -1.2327 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 15 2 0 0 0 0 3 21 3 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$