B9MDW4 -OEChem-04022107462D 54 57 0 1 0 0 0 0 0999 V2000 8.9778 -2.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6044 2.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3782 1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.2659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7262 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -1.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5023 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6082 1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7364 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2423 1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -2.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 0.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 -2.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1248 -2.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 0.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8043 -1.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2028 -1.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 0.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1697 1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0356 -0.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 -2.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0443 3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1983 3.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4285 2.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9303 0.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7781 0.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5544 1.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 -0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0061 -3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -3.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 -3.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 24 1 0 0 0 0 4 21 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$