BM3E1B -OEChem-04022106543D 40 42 0 0 0 0 0 0 0999 V2000 -0.8871 -1.3908 0.2922 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 0.3836 1.1723 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -1.2103 -0.5389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.3569 0.4477 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -3.2463 -0.4794 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 0.7573 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 2.2249 0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -0.0288 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 3.0612 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 0.0532 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 -1.9608 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.3240 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6373 4.5485 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 0.8754 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 0.1836 1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 0.4044 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -3.4360 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 0.2045 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 0.1239 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 0.3447 -1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5769 0.1407 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 2.5079 0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 2.4738 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 2.8359 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 2.8248 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 1.0707 1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 4.8221 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2897 5.1333 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 4.8312 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0613 1.7332 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7607 1.2102 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0396 0.2663 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 0.1187 2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9682 0.5221 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0579 -4.3943 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 0.0124 1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 0.4084 -2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -0.8979 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6325 0.7217 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3248 0.5565 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 3 10 2 0 0 0 0 3 11 1 0 0 0 0 4 17 2 0 0 0 0 5 11 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$