@MOLECULE DB03148 44 46 1 SMALL USER_CHARGES @ATOM 1 P1 8.0758 0.1625 1.2858 P 1 noname 0.0263 2 O1 9.5150 0.1182 1.3013 O.2 1 noname -0.2254 3 O2 7.5259 -0.5890 2.5124 O.3 1 noname -0.1785 4 O3 7.6068 1.6287 1.3293 O.3 1 noname -0.1907 5 C1 7.5183 -0.5525 -0.0927 C.3 1 noname 0.1616 6 C2 6.1066 -0.5453 2.4971 C.3 1 noname 0.0893 7 P2 8.1075 0.2526 -1.4069 P 1 noname 0.0206 8 C3 5.5603 -1.2919 3.7157 C.3 1 noname 0.1129 9 O4 7.6210 -0.3714 -2.6100 O.2 1 noname -0.2270 10 O5 7.6385 1.7188 -1.3634 O.3 1 noname -0.1918 11 O6 9.6467 0.2053 -1.3904 O.3 1 noname -0.1918 12 O7 6.0356 -0.6822 4.8912 O.3 1 noname -0.3483 13 C4 4.0341 -1.1838 3.7381 C.3 1 noname 0.1127 14 C5 5.0722 -1.0744 5.8540 C.3 1 noname 0.1590 15 O8 3.4654 -2.4504 3.4402 O.3 1 noname -0.3873 16 C6 3.7209 -0.8133 5.1850 C.3 1 noname 0.1258 17 N1 5.3344 -0.4493 7.1131 N.3 1 noname 0.0257 18 O9 2.7534 -1.7131 5.7052 O.3 1 noname -0.3857 19 C7 6.4972 -0.5627 7.7935 C.2 1 noname 0.1238 20 C8 4.5312 0.3834 7.8421 C.2 1 noname -0.0362 21 N2 7.6382 -1.2719 7.5366 N.2 1 noname -0.2441 22 C9 6.3593 0.2677 8.9155 C.2 1 noname 0.0254 23 N3 5.1550 0.8272 8.9466 N.2 1 noname -0.2172 24 C10 8.7048 -1.1516 8.3950 C.2 1 noname 0.0503 25 C11 7.4582 0.3916 9.7873 C.2 1 noname 0.0729 26 N4 8.5812 -0.3211 9.4827 N.2 1 noname -0.2575 27 N5 7.4033 1.1771 10.8715 N.3 1 noname -0.1031 28 H1 7.5172 1.9090 2.2431 H 1 noname 0.2259 29 H2 7.9441 -1.5555 -0.1213 H 1 noname 0.0572 30 H3 6.4365 -0.4193 -0.1010 H 1 noname 0.0572 31 H4 5.8470 0.5081 2.6021 H 1 noname 0.0604 32 H5 5.8084 -1.0937 1.6035 H 1 noname 0.0604 33 H6 5.9153 -2.3224 3.7304 H 1 noname 0.0657 34 H7 7.5489 1.9991 -0.4496 H 1 noname 0.2259 35 H8 9.9568 0.1957 -0.4819 H 1 noname 0.2259 36 H9 3.6060 -0.5168 2.9898 H 1 noname 0.0657 37 H10 5.1748 -2.1162 6.1578 H 1 noname 0.0853 38 H11 3.2595 -2.9091 4.2580 H 1 noname 0.2106 39 H12 3.2746 0.1674 5.3499 H 1 noname 0.0674 40 H13 2.7782 -1.6900 6.6646 H 1 noname 0.2107 41 H14 3.5119 0.6612 7.5740 H 1 noname 0.1016 42 H15 9.6282 -1.7027 8.2171 H 1 noname 0.1062 43 H16 8.2561 1.4731 11.3244 H 1 noname 0.1258 44 H17 6.5090 1.4731 11.2359 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 5 7 1 7 8 6 1 8 7 9 2 9 7 10 1 10 7 11 1 11 8 12 1 12 8 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 17 19 1 20 17 20 1 21 19 21 2 22 19 22 1 23 20 23 2 24 21 24 1 25 22 25 2 26 22 23 1 27 24 26 2 28 25 27 1 29 25 26 1 30 4 28 1 31 5 29 1 32 5 30 1 33 6 31 1 34 6 32 1 35 8 33 1 36 10 34 1 37 11 35 1 38 13 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 18 40 1 43 20 41 1 44 24 42 1 45 27 43 1 46 27 44 1 @SUBSTRUCTURE 1 noname 1