@MOLECULE DB02480 29 28 1 SMALL USER_CHARGES @ATOM 1 Br1 2.7536 -3.7065 -0.7994 Br 1 noname -0.0896 2 C1 4.3061 -3.0405 0.1278 C.3 1 noname 0.0319 3 C2 3.8903 -1.9113 1.0728 C.3 1 noname 0.0739 4 O1 3.2995 -0.8600 0.3230 O.3 1 noname -0.3891 5 C3 2.8785 -2.4437 2.0895 C.3 1 noname 0.0010 6 C4 5.1229 -1.3825 1.8089 C.3 1 noname -0.0352 7 C5 2.4627 -1.3145 3.0345 C.3 1 noname 0.0652 8 O2 1.5236 -1.8086 3.9781 O.3 1 noname -0.1474 9 P1 1.1052 -0.6721 4.9293 P 1 noname 0.0662 10 O3 0.1529 -1.1732 5.8861 O.2 1 noname -0.1858 11 O4 0.4645 0.4680 4.1161 O.3 1 noname -0.0281 12 O5 2.3458 -0.1398 5.6702 O.3 1 noname -0.1576 13 P2 0.0460 1.6046 5.0673 P 1 noname 0.0622 14 O6 -0.5531 2.6707 4.3070 O.2 1 noname -0.1871 15 O7 1.2866 2.1369 5.8083 O.3 1 noname -0.1585 16 O8 -0.9725 1.0687 6.0906 O.3 1 noname -0.1585 17 H1 4.6948 -3.7944 0.8123 H 1 noname 0.0416 18 H2 4.9783 -2.5362 -0.5664 H 1 noname 0.0416 19 H3 2.9323 -0.2065 0.9227 H 1 noname 0.2108 20 H4 1.9884 -2.7281 1.5283 H 1 noname 0.0320 21 H5 3.4008 -3.1844 2.6949 H 1 noname 0.0320 22 H6 4.9612 -1.4519 2.8846 H 1 noname 0.0260 23 H7 5.9937 -1.9773 1.5333 H 1 noname 0.0260 24 H8 5.2920 -0.3416 1.5333 H 1 noname 0.0260 25 H9 3.3362 -1.0240 3.6183 H 1 noname 0.0578 26 H10 1.9237 -0.5677 2.4516 H 1 noname 0.0578 27 H11 2.2034 -0.2009 6.6176 H 1 noname 0.2283 28 H12 1.1442 2.0758 6.7557 H 1 noname 0.2283 29 H13 -0.6518 1.2374 6.9797 H 1 noname 0.2283 @BOND 1 1 2 1 2 3 2 1 3 3 4 1 4 3 5 1 5 3 6 1 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 9 12 1 12 11 13 1 13 13 14 2 14 13 15 1 15 13 16 1 16 2 17 1 17 2 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 7 25 1 25 7 26 1 26 12 27 1 27 15 28 1 28 16 29 1 @SUBSTRUCTURE 1 noname 1