B51NBE -OEChem-04012114552D 35 36 0 0 0 0 0 0 0999 V2000 7.2437 1.7088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 2.3475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 3.3180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 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 M END $$$$