BP5EA2 -OEChem-04042103063D 48 50 0 0 0 0 0 0 0999 V2000 -3.7604 1.7729 0.2832 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 4.7424 -0.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 -0.2930 -1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3907 2.7040 1.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 1.9632 -0.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 1.1763 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 -1.1134 -0.3057 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -3.3842 0.8783 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -2.3889 0.6613 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 0.1741 0.8729 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 3.7923 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 2.5296 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 3.4683 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8564 1.4335 1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 2.3492 -0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 -0.0687 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -1.2208 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -2.3361 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 -2.1615 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 -2.0445 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -3.2769 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9057 -1.0041 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2802 -0.8912 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8538 -2.9725 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 -1.8190 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -2.8598 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7691 1.7288 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 4.2471 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 2.1713 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1943 2.7639 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 4.3680 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 3.1747 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 0.5408 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4316 1.7607 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2051 2.6720 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2743 2.0925 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 4.9294 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 -4.1257 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -0.2877 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3158 -3.7880 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 -1.8944 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 -3.2255 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0118 -1.7401 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 -0.0622 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 -3.5812 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7544 2.7254 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 1.0059 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 1.4654 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 37 1 0 0 0 0 3 16 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 18 2 0 0 0 0 8 21 1 0 0 0 0 9 18 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 23 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$