B4A2PH -OEChem-04012116042D 44 46 0 0 0 0 0 0 0999 V2000 7.9939 1.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -2.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.8997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.2903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 2.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 0.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -2.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6139 -0.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -1.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1839 -2.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 -1.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6139 -2.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 14 2 0 0 0 0 7 17 1 0 0 0 0 8 17 2 0 0 0 0 8 37 1 0 0 0 0 9 22 3 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 16 22 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$