B8KLT9 -OEChem-04012114472D 47 50 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 5.0274 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 0 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 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 7.3991 0.5715 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 2.7029 3.0765 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 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 2.3219 1.3172 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 8.3780 0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 -3.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -2.8778 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 2.5182 3.6683 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 1.9088 0.8548 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 8.5046 0.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 0.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2515 1.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 -3.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 -3.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 -3.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -2.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -2.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -3.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 15 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 13 20 1 0 0 0 0 13 28 1 0 0 0 0 14 21 2 0 0 0 0 14 29 1 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 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 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$