B9MAY7 -OEChem-04022100242D 59 62 0 0 0 0 0 0 0999 V2000 4.9889 1.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 4.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -5.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -6.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 -5.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -4.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -3.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 3.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 5.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 6.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 -6.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 -6.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8209 -6.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -4.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -5.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -6.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 -5.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4608 -4.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6788 -4.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 -4.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -3.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -3.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -2.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 2.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 0.2248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 2.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 3.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 5.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2242 4.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5067 6.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 6.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 6.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 22 1 0 0 0 0 2 52 1 0 0 0 0 3 22 2 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 20 2 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END $$$$