@MOLECULE DB03650 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.2581 0.8250 0.1951 O.2 1 noname -0.2645 2 C1 1.0862 0.8075 -0.7411 C.2 1 noname 0.1249 3 N1 1.8476 -0.3136 -1.1769 N.3 1 noname -0.1258 4 C2 1.4777 2.0001 -1.6455 C.2 1 noname 0.0832 5 C3 2.7741 0.0767 -2.0547 C.2 1 noname 0.0111 6 N2 0.9639 3.1647 -1.7182 N.2 1 noname -0.2089 7 C4 2.5918 1.4322 -2.3910 C.2 1 noname -0.0021 8 C5 3.8399 -0.6906 -2.5936 C.2 1 noname -0.0262 9 C6 -0.0444 3.4820 -0.9528 C.2 1 noname -0.0140 10 C7 3.4251 2.0964 -3.3304 C.2 1 noname -0.0194 11 C8 4.7261 -0.0217 -3.4949 C.2 1 noname -0.0381 12 C9 -0.6045 4.7517 -1.0322 C.2 1 noname -0.0078 13 C10 -0.5581 2.5504 -0.0583 C.2 1 noname -0.0078 14 C11 4.5161 1.3433 -3.8650 C.2 1 noname -0.0519 15 C12 -1.6784 5.0897 -0.2169 C.2 1 noname -0.0186 16 C13 -1.6320 2.8884 0.7569 C.2 1 noname -0.0186 17 C14 -2.1922 4.1580 0.6776 C.2 1 noname 0.0045 18 O2 -3.2352 4.4863 1.4694 O.3 1 noname -0.2860 19 H1 1.7424 -1.2777 -0.8950 H 1 noname 0.1375 20 H2 3.9713 -1.7398 -2.3290 H 1 noname 0.0639 21 H3 3.2373 3.1288 -3.6252 H 1 noname 0.0630 22 H4 5.5777 -0.5626 -3.9075 H 1 noname 0.0623 23 H5 -0.2017 5.4822 -1.7336 H 1 noname 0.0646 24 H6 -0.1188 1.5547 0.0039 H 1 noname 0.0646 25 H7 5.2005 1.8187 -4.5677 H 1 noname 0.0622 26 H8 -2.1177 6.0853 -0.2791 H 1 noname 0.0650 27 H9 -2.0348 2.1578 1.4584 H 1 noname 0.0650 28 H10 -2.9760 4.4047 2.3902 H 1 noname 0.2181 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 1 8 5 7 2 9 6 9 1 10 7 10 1 11 8 11 2 12 9 12 2 13 9 13 1 14 10 14 2 15 11 14 1 16 12 15 1 17 13 16 2 18 15 17 2 19 16 17 1 20 17 18 1 21 3 19 1 22 8 20 1 23 10 21 1 24 11 22 1 25 12 23 1 26 13 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1