BN1PK4 -OEChem-04012117002D 51 54 0 1 0 0 0 0 0999 V2000 5.0032 -1.1376 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 1.5074 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8953 3.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.1865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.4013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.1225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 1.8438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.1376 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0032 -2.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -2.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -2.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -3.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -3.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -4.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 2.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 3.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 2.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 3.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8765 2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4118 3.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8276 1.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3628 3.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5707 2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -0.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -2.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -3.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -3.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -4.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 1.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 0.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 1.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8945 3.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 2.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5887 4.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4158 1.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2829 4.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 1.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8236 3.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1604 2.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 12 2 0 0 0 0 7 12 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END $$$$