@MOLECULE DB02887 43 44 1 SMALL USER_CHARGES @ATOM 1 P1 -5.7812 -5.7742 0.9377 P 1 noname 0.1090 2 O1 -6.6731 -6.2980 2.0012 O.2 1 noname -0.1763 3 O2 -4.3801 -6.5427 1.0552 O.3 1 noname -0.0200 4 O3 -6.5741 -5.9758 -0.4465 O.3 1 noname -0.0210 5 O4 -5.6205 -4.2276 1.2748 O.3 1 noname -0.1517 6 P2 -3.0572 -5.9412 0.3323 P 1 noname 0.0687 7 P3 -5.8800 -6.1649 -1.8209 P 1 noname 0.0637 8 O5 -1.8561 -6.5850 0.8875 O.2 1 noname -0.1855 9 O6 -3.0185 -4.3733 0.5982 O.3 1 noname -0.1453 10 O7 -3.0549 -6.2771 -1.2207 O.3 1 noname -0.1575 11 O8 -6.8793 -6.3173 -2.8464 O.2 1 noname -0.1869 12 O9 -5.0103 -4.9323 -2.1307 O.3 1 noname -0.1584 13 O10 -4.9918 -7.4223 -1.7787 O.3 1 noname -0.1584 14 C1 -2.0965 -3.7783 -0.2896 C.3 1 noname 0.0924 15 C2 -1.9467 -2.2949 0.0021 C.3 1 noname 0.1026 16 O11 -1.5578 -2.1016 1.3676 O.3 1 noname -0.3488 17 C3 -0.8498 -1.8579 -0.7966 C.2 1 noname -0.0493 18 C4 -0.7607 -0.9288 1.2276 C.3 1 noname 0.1418 19 C5 -0.0964 -1.0798 -0.0360 C.2 1 noname -0.0458 20 N1 0.0446 -0.5170 2.3410 N.3 1 noname 0.0377 21 C6 0.7954 -1.3380 3.1636 C.2 1 noname 0.0306 22 C7 0.0245 0.8252 2.5575 C.2 1 noname -0.0367 23 O12 0.8578 -2.5702 3.0205 O.2 1 noname -0.2796 24 N2 1.5205 -0.8176 4.1986 N.3 1 noname 0.0799 25 C8 0.7696 1.3885 3.6098 C.2 1 noname 0.0439 26 C9 1.5224 0.5170 4.4388 C.2 1 noname 0.0638 27 C10 0.7101 2.8431 3.7747 C.3 1 noname -0.0339 28 O13 2.2074 0.9269 5.4072 O.2 1 noname -0.2887 29 H1 -5.6080 -4.1073 2.2272 H 1 noname 0.2283 30 H2 -3.0548 -7.2294 -1.3421 H 1 noname 0.2283 31 H3 -4.7246 -4.5274 -1.3085 H 1 noname 0.2283 32 H4 -4.8216 -7.6633 -0.8652 H 1 noname 0.2283 33 H5 -1.1420 -4.2581 -0.0733 H 1 noname 0.0607 34 H6 -2.5459 -3.8795 -1.2775 H 1 noname 0.0607 35 H7 -2.8517 -1.7168 -0.1844 H 1 noname 0.0674 36 H8 -0.6206 -2.0857 -1.8376 H 1 noname 0.0602 37 H9 -1.4076 -0.0516 1.2375 H 1 noname 0.0835 38 H10 0.8518 -0.6603 -0.3724 H 1 noname 0.0615 39 H11 -0.5821 1.4425 1.8949 H 1 noname 0.0762 40 H12 2.0623 -1.4276 4.7940 H 1 noname 0.1418 41 H13 0.7001 3.0883 4.8367 H 1 noname 0.0282 42 H14 1.5822 3.2979 3.3050 H 1 noname 0.0282 43 H15 -0.1963 3.2252 3.3050 H 1 noname 0.0282 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 2 11 7 12 1 12 7 13 1 13 9 14 1 14 15 14 1 15 15 16 1 16 15 17 1 17 16 18 1 18 17 19 2 19 18 20 1 20 18 19 1 21 20 21 1 22 20 22 1 23 21 23 2 24 21 24 1 25 22 25 2 26 24 26 1 27 25 27 1 28 25 26 1 29 26 28 2 30 5 29 1 31 10 30 1 32 12 31 1 33 13 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 17 36 1 38 18 37 1 39 19 38 1 40 22 39 1 41 24 40 1 42 27 41 1 43 27 42 1 44 27 43 1 @SUBSTRUCTURE 1 noname 1