BL4UN9 -OEChem-04012115522D 50 52 0 0 0 0 0 0 0999 V2000 6.3301 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1601 2.4849 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5172 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8279 1.7406 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4528 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1171 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7634 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8668 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3701 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2882 3.6929 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 7 1 0 0 0 0 1 13 1 0 0 0 0 4 22 1 0 0 0 0 4 46 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 7 16 1 0 0 0 0 7 34 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 39 1 0 0 0 0 9 18 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 21 38 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 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 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M CHG 2 5 -1 12 1 M END $$$$