B6NC3V -OEChem-04022107433D 42 44 0 0 0 0 0 0 0999 V2000 5.4737 -0.1310 0.2491 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 0.3765 0.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 -0.9078 1.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 0.8493 0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 1.4094 -0.0038 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 -1.3402 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -3.1235 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4457 1.1701 -0.2163 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -2.6961 -0.0717 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 1.6952 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 -0.5138 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8382 -0.8720 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 0.3561 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2745 0.5628 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3946 2.5576 1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 2.5644 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 -2.2323 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 0.6664 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 0.6600 1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 0.9640 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 0.8670 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 0.8605 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -2.6290 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 -1.1137 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2453 1.0384 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 3.2695 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3242 1.9343 2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3271 3.1289 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 3.2766 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4118 3.1359 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4663 1.9460 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 0.5922 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 0.5838 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 0.9449 -2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 0.9468 1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 -3.3696 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7623 1.7044 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5591 -2.0562 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0547 -3.6935 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1067 -1.9581 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 -1.4824 -1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -0.5044 -2.0750 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 8 1 0 0 0 0 1 24 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 13 2 0 0 0 0 6 11 2 0 0 0 0 6 23 1 0 0 0 0 7 17 1 0 0 0 0 7 23 2 0 0 0 0 8 20 1 0 0 0 0 8 37 1 0 0 0 0 9 17 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$