B3L4BM -OEChem-04022102122D 48 51 0 1 0 0 0 0 0999 V2000 5.3345 1.5453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -3.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 4.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.6763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.9596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -2.4482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.9101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -2.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9237 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8725 1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 2.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 3.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 3.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2868 4.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9794 4.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 5.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -1.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3735 0.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -2.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -1.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3765 2.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 3.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 3.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 5.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 5.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 3 17 2 0 0 0 0 4 27 1 0 0 0 0 4 48 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 35 1 0 0 0 0 7 15 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$