BBUN85 -OEChem-04022109512D 53 53 0 0 0 0 0 0 0999 V2000 4.7977 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 2.5193 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 11.2862 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1924 9.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 9.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1924 6.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 11.6827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0584 10.1860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 8.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5944 10.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 11.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5944 11.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 11.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 10.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 7.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 9.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 11.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 11.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 10.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1924 5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0585 7.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 11.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 11.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 12.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 12.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 12.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8498 8.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2483 8.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 12.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 12.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 11.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5385 11.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 8.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5385 8.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7158 7.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1144 6.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 9.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 12.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 9.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 5.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1924 5.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8124 5.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3685 6.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5954 7.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7485 7.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 9.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 9.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 13.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 13.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 1 0 0 0 0 2 53 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 19 1 0 0 0 0 7 23 2 0 0 0 0 8 23 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$