D0R2UG -OEChem-10191522132D 48 51 0 0 0 0 0 0 0999 V2000 4.5981 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 -0.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 -0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -3.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -1.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4528 0.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4537 1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 0.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5806 0.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0594 0.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3249 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 5 23 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 7 36 1 0 0 0 0 8 11 2 0 0 0 0 8 19 1 0 0 0 0 9 20 2 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 31 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 14 19 2 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 22 2 0 0 0 0 19 35 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 28 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 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$