@MOLECULE DB04152 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.9515 -0.3866 0.7553 O.2 1 noname -0.2789 2 C1 1.9887 0.2265 0.2458 C.2 1 noname 0.0736 3 N1 1.9762 1.5228 -0.1161 N.3 1 noname 0.0369 4 C2 0.7394 -0.3090 -0.0481 C.2 1 noname 0.0617 5 O2 0.8107 1.8371 -0.6142 O.3 1 noname -0.2334 6 C3 0.3563 -1.6258 0.1685 C.2 1 noname -0.0065 7 C4 0.0053 0.7483 -0.5875 C.2 1 noname 0.0380 8 C5 -0.8468 -2.2000 -0.0035 C.2 1 noname -0.0567 9 C6 1.3885 -2.4949 0.6420 C.3 1 noname -0.0024 10 C7 -1.4288 0.7890 -0.9743 C.3 1 noname -0.0029 11 C8 -2.1284 -1.6259 -0.4080 C.3 1 noname -0.0340 12 C9 2.1066 -3.1305 -0.5502 C.3 1 noname 0.0953 13 C10 -2.0705 -0.5230 -1.4855 C.3 1 noname -0.0437 14 N2 3.1620 -4.0190 -0.0661 N.3 1 noname -0.3191 15 C11 2.6950 -2.0825 -1.3791 C.2 1 noname 0.1439 16 O3 2.3485 -1.9626 -2.5741 O.2 1 noname -0.2495 17 O4 3.6132 -1.2431 -0.8550 O.3 1 noname -0.2139 18 H1 2.7420 2.1750 -0.0257 H 1 noname 0.1652 19 H2 -0.7738 -3.2659 0.2124 H 1 noname 0.0579 20 H3 2.1003 -1.8505 1.1579 H 1 noname 0.0337 21 H4 0.8767 -3.2880 1.1872 H 1 noname 0.0337 22 H5 -1.9481 1.0332 -0.0476 H 1 noname 0.0338 23 H6 -1.4587 1.4824 -1.8148 H 1 noname 0.0338 24 H7 -2.6681 -2.4623 -0.8522 H 1 noname 0.0310 25 H8 -2.5072 -1.1521 0.4975 H 1 noname 0.0310 26 H9 1.4275 -3.7140 -1.1718 H 1 noname 0.0575 27 H10 -3.1065 -0.2801 -1.7219 H 1 noname 0.0274 28 H11 -1.4076 -0.8995 -2.2646 H 1 noname 0.0274 29 H12 2.9631 -4.9951 0.1011 H 1 noname 0.1191 30 H13 4.0898 -3.6568 0.1011 H 1 noname 0.1191 31 H14 3.5715 -1.2812 0.1033 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 7 1 8 6 8 2 9 6 9 1 10 7 10 1 11 8 11 1 12 9 12 1 13 10 13 1 14 11 13 1 15 12 14 1 16 12 15 1 17 15 16 2 18 15 17 1 19 3 18 1 20 8 19 1 21 9 20 1 22 9 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 13 28 1 30 14 29 1 31 14 30 1 32 17 31 1 @SUBSTRUCTURE 1 noname 1