BL3E4B -OEChem-04012115303D 37 40 0 0 0 0 0 0 0999 V2000 1.3056 -2.5951 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -0.8480 -0.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 1.8829 0.7157 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 -2.3492 -0.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 0.7117 1.2848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 2.2972 0.4911 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 1.7155 -2.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 -0.4020 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0094 -1.4496 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -0.9335 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 -2.2704 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 0.9187 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 -0.0411 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1957 1.0506 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -1.3970 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 -0.2706 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 -3.3717 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3791 0.1737 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8906 1.4478 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0057 2.4620 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 -0.2507 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 0.8035 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4561 -0.7274 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3815 1.3811 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6974 -0.1499 1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1602 0.9043 0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 1.3071 -1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -4.3426 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -3.3828 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -3.2739 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0588 -0.6315 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 1.6424 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 3.4698 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 -1.5489 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7569 2.2037 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3036 -0.5212 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1267 1.3538 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 12 2 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 14 1 0 0 0 0 6 20 2 0 0 0 0 7 27 3 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M END $$$$