B1NYH2 -OEChem-04012119162D 37 38 0 0 0 0 0 0 0999 V2000 10.4114 0.6708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 -0.1340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4114 -0.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9950 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4950 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9124 -1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0776 -0.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3873 -0.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 -2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5319 -1.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 37 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$