B4N8QM -OEChem-04012114222D 46 48 0 0 0 0 0 0 0999 V2000 7.7331 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8574 1.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0911 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0911 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 0.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 -1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9054 0.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1291 1.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2813 1.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 7 25 1 0 0 0 0 7 27 2 0 0 0 0 8 27 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 27 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$