B96CMN -OEChem-04022107142D 45 48 0 1 0 0 0 0 0999 V2000 2.0000 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 2.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5531 0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 4.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -3.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -3.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8913 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 9 1 0 0 0 0 2 16 2 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 6 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 3 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$