B21KXO -OEChem-04012115532D 52 55 0 1 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 3 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 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 8.0622 -0.7095 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 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 3.7320 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2905 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 2.0000 0.7905 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 8.0622 -0.0895 0.0000 H 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 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 6.0841 0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5195 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 1.4631 1.1005 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 12 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 19 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 49 1 0 0 0 0 31 33 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$