BW94GV -OEChem-04022103322D 40 42 0 0 0 0 0 0 0999 V2000 7.0083 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 -2.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9983 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 3.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.6103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 2.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -2.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6121 -1.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0857 -0.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5102 2.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3316 3.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8029 1.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4062 2.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6243 2.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 24 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$