B7AF9V -OEChem-04012114472D 44 47 0 1 0 0 0 0 0999 V2000 4.5274 3.4320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 -3.4320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4519 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.8932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 3.0765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 -2.6812 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7123 1.1085 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7328 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 2.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 2.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 0.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 2.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -1.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 0.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 0.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 1.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 2.6507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 3.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9051 1.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 1.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 3.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 0.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 -2.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -0.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 -0.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5066 0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 13 19 1 0 0 0 0 14 21 2 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 29 1 0 0 0 0 17 24 2 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 27 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$