B6LWV3 -OEChem-04022109302D 45 48 0 1 0 0 0 0 0999 V2000 11.5000 0.4440 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 1.3100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 3.0420 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -2.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1340 -0.9221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -2.4220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.0420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 -0.9221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8660 -1.9220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7326 -1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.4221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5000 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1340 -1.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2909 -0.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2909 -2.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1311 -1.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1311 -0.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6077 1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 0.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 -0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -2.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 2.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 3.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 22 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 24 2 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 15 1 0 0 0 0 7 18 2 0 0 0 0 8 18 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 9 40 1 0 0 0 0 10 25 1 0 0 0 0 10 27 2 0 0 0 0 11 26 1 0 0 0 0 11 28 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 6 0 0 0 13 14 1 0 0 0 0 13 31 1 6 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$