B8TL7V -OEChem-04012113462D 42 45 0 1 0 0 0 0 0999 V2000 5.5321 -1.5316 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.9176 1.0030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 -0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -2.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 0.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 -0.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9094 1.9837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6043 2.3409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7610 1.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5321 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1157 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0662 0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1157 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8105 1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6538 2.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 -2.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 -1.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6397 0.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9494 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -0.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5259 3.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2225 1.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8889 0.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 24 1 0 0 0 0 8 21 1 0 0 0 0 8 24 2 0 0 0 0 9 20 2 0 0 0 0 9 26 1 0 0 0 0 10 25 1 0 0 0 0 10 26 2 0 0 0 0 11 25 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$