@MOLECULE DB02463 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 3.7636 0.6905 -1.2588 O.3 1 noname -0.2820 2 C1 3.8817 1.8207 -0.5300 C.2 1 noname 0.0102 3 C2 2.7879 2.3115 0.1734 C.2 1 noname -0.0082 4 C3 5.0971 2.4935 -0.4829 C.2 1 noname -0.0282 5 C4 1.5725 1.6387 0.1264 C.2 1 noname -0.0852 6 C5 2.9095 3.4752 0.9239 C.2 1 noname -0.0391 7 C6 5.2187 3.6571 0.2676 C.2 1 noname -0.0555 8 N1 1.4372 0.3040 -0.0383 N.3 1 noname -0.0567 9 C7 0.3191 2.2486 0.2429 C.2 1 noname -0.0148 10 C8 4.1249 4.1480 0.9710 C.2 1 noname -0.0690 11 C9 0.1251 0.0143 -0.0246 C.2 1 noname -0.0762 12 C10 -0.5976 1.2129 0.1089 C.2 1 noname -0.0204 13 C11 -0.5266 -1.2554 -0.1396 C.2 1 noname -0.0320 14 C12 -2.0283 1.2488 0.0671 C.2 1 noname -0.0033 15 C13 -1.9534 -1.2386 -0.1172 C.2 1 noname -0.0135 16 C14 -2.6873 -0.0119 -0.0358 C.2 1 noname -0.0029 17 C15 -4.0466 -0.0498 -0.0572 C.2 1 noname 0.0007 18 N2 -4.6518 -1.1683 -0.1488 N.2 1 noname 0.1638 19 N3 -4.7341 1.0628 0.0163 N.3 1 noname -0.1009 20 H1 3.6848 -0.0634 -0.6698 H 1 noname 0.2182 21 H2 5.9549 2.1086 -1.0345 H 1 noname 0.0650 22 H3 2.0518 3.8601 1.4755 H 1 noname 0.0630 23 H4 6.1718 4.1847 0.3045 H 1 noname 0.0623 24 H5 2.1876 -0.3623 -0.1521 H 1 noname 0.1528 25 H6 0.1029 3.3048 0.4036 H 1 noname 0.0649 26 H7 4.2203 5.0605 1.5595 H 1 noname 0.0622 27 H8 0.0336 -2.1852 -0.2389 H 1 noname 0.0642 28 H9 -2.5853 2.1846 0.1113 H 1 noname 0.0638 29 H10 -2.4946 -2.1836 -0.1632 H 1 noname 0.0632 30 H11 -5.6608 -1.1950 -0.1851 H 1 noname 0.2870 31 H12 -4.1222 -2.0276 -0.1851 H 1 noname 0.2870 32 H13 -4.2551 1.9515 0.0446 H 1 noname 0.1297 33 H14 -5.7433 1.0320 0.0446 H 1 noname 0.1297 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 1 13 11 13 1 14 11 12 2 15 12 14 1 16 13 15 2 17 14 16 2 18 15 16 1 19 16 17 1 20 17 18 2 21 17 19 1 22 1 20 1 23 4 21 1 24 6 22 1 25 7 23 1 26 8 24 1 27 9 25 1 28 10 26 1 29 13 27 1 30 14 28 1 31 15 29 1 32 18 30 1 33 18 31 1 34 19 32 1 35 19 33 1 @SUBSTRUCTURE 1 noname 1