B2VGU8 -OEChem-04012117172D 42 44 0 0 0 0 0 0 0999 V2000 2.8660 2.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.7142 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 3.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 1.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 3.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 16 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 10 30 1 0 0 0 0 10 42 1 0 0 0 0 11 30 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 0 0 0 0 28 29 2 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 M END $$$$