@MOLECULE DB03725 50 52 1 SMALL USER_CHARGES @ATOM 1 P1 9.1362 3.0052 1.5502 P 1 noname 0.0573 2 O1 9.8687 4.1649 1.0216 O.2 1 noname -0.1874 3 O2 7.5934 3.1397 1.1907 O.3 1 noname -0.0388 4 O3 9.1931 3.1214 3.1322 O.3 1 noname -0.1467 5 O4 9.8671 1.6486 1.1771 O.3 1 noname -0.1586 6 P2 7.0877 2.5781 -0.2184 P 1 noname 0.0747 7 C1 8.9083 1.9311 3.8435 C.3 1 noname 0.0915 8 O5 5.7930 1.9586 0.1869 O.2 1 noname -0.2157 9 O6 7.9784 1.3634 -0.7411 O.3 1 noname -0.1847 10 C2 6.7935 3.8350 -1.3987 C.3 1 noname 0.1623 11 C3 9.3323 2.2682 5.2757 C.3 1 noname 0.1130 12 P3 7.8817 5.0949 -1.8330 P 1 noname 0.0206 13 O7 8.5819 3.3867 5.7531 O.3 1 noname -0.3483 14 C4 9.1299 1.0942 6.2255 C.3 1 noname 0.1127 15 O8 8.6678 5.6258 -0.7213 O.2 1 noname -0.2270 16 O9 8.8293 4.5959 -2.9397 O.3 1 noname -0.1917 17 O10 7.0568 6.2325 -2.4630 O.3 1 noname -0.1917 18 C5 8.6488 3.2892 7.1747 C.3 1 noname 0.1577 19 O11 10.4114 0.5169 6.4901 O.3 1 noname -0.3873 20 C6 8.4403 1.7733 7.4145 C.3 1 noname 0.1257 21 N1 7.7348 4.2360 7.7758 N.3 1 noname -0.0064 22 O12 8.9549 1.3329 8.6610 O.3 1 noname -0.3857 23 C7 7.8172 5.5786 7.6520 C.2 1 noname -0.0115 24 C8 6.6505 3.9911 8.5556 C.2 1 noname -0.0358 25 N2 8.6846 6.3911 6.9940 N.3 1 noname 0.0929 26 C9 6.7614 6.1209 8.3746 C.2 1 noname 0.0554 27 N3 6.0485 5.1385 8.9267 N.2 1 noname -0.2138 28 C10 8.5315 7.7205 7.0448 C.2 1 noname 0.0423 29 C11 6.6153 7.5191 8.4093 C.2 1 noname 0.0561 30 N4 7.5234 8.2700 7.7305 N.2 1 noname -0.1701 31 N5 9.3548 8.4742 6.4394 N.2 1 noname -0.2387 32 O13 5.6047 8.0987 9.0922 O.3 1 noname -0.2485 33 H1 10.1156 1.1873 1.9815 H 1 noname 0.2283 34 H2 7.8275 1.7940 3.8118 H 1 noname 0.0605 35 H3 9.5675 1.1592 3.4462 H 1 noname 0.0605 36 H4 8.3326 0.8803 0.0090 H 1 noname 0.2260 37 H5 6.6796 3.2852 -2.3330 H 1 noname 0.0573 38 H6 5.9482 4.3826 -0.9820 H 1 noname 0.0573 39 H7 10.3805 2.5671 5.2797 H 1 noname 0.0657 40 H8 8.5838 0.2169 5.8789 H 1 noname 0.0657 41 H9 8.8355 3.6360 -2.9469 H 1 noname 0.2259 42 H10 6.6681 6.7687 -1.7680 H 1 noname 0.2259 43 H11 9.5714 3.6551 7.6254 H 1 noname 0.0852 44 H12 10.5454 0.4565 7.4388 H 1 noname 0.2106 45 H13 7.3988 1.4811 7.5487 H 1 noname 0.0674 46 H14 8.9638 0.3732 8.6825 H 1 noname 0.2107 47 H15 6.3068 2.9986 8.8470 H 1 noname 0.1016 48 H16 9.4506 6.0033 6.4621 H 1 noname 0.0682 49 H17 9.9079 8.9806 7.1159 H 1 noname 0.1893 50 H18 5.7623 8.0084 10.0348 H 1 noname 0.2199 @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 11 7 1 11 10 12 1 12 11 13 1 13 11 14 1 14 12 15 2 15 12 16 1 16 12 17 1 17 13 18 1 18 14 19 1 19 14 20 1 20 18 21 1 21 18 20 1 22 20 22 1 23 21 23 1 24 21 24 1 25 23 25 1 26 23 26 2 27 24 27 2 28 25 28 1 29 26 29 1 30 26 27 1 31 28 30 1 32 28 31 2 33 29 32 1 34 29 30 2 35 5 33 1 36 7 34 1 37 7 35 1 38 9 36 1 39 10 37 1 40 10 38 1 41 11 39 1 42 14 40 1 43 16 41 1 44 17 42 1 45 18 43 1 46 19 44 1 47 20 45 1 48 22 46 1 49 24 47 1 50 25 48 1 51 31 49 1 52 32 50 1 @SUBSTRUCTURE 1 noname 1