BVN3I5 -OEChem-04022102272D 45 45 0 1 0 0 0 0 0999 V2000 6.0413 6.2319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 4.4451 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 3.0791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4073 2.7130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 3.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 5.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 5.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 6.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 6.3364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5468 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 3.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 4.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 5.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 5.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 7.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9486 6.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 6.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1132 7.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 7.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 3.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 2 23 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 26 1 0 0 0 0 7 18 2 0 0 0 0 8 27 1 0 0 0 0 8 45 1 0 0 0 0 9 27 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 16 11 1 1 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 17 36 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$