BB3CH2 -OEChem-04012117542D 47 50 0 0 0 0 0 0 0999 V2000 3.7320 1.5285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 1.6217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 4.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 4.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 4.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 5.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 5.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 3.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 4.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 5.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 6.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 6.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 20 2 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 38 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 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$