@MOLECULE DB02725 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.9699 -2.6404 5.2491 O.2 1 noname -0.2496 2 C1 1.5653 -3.1020 4.2517 C.2 1 noname 0.1437 3 O2 1.4664 -4.4151 3.9544 O.3 1 noname -0.2140 4 C2 2.3678 -2.2210 3.4082 C.3 1 noname 0.0913 5 N1 3.7538 -2.6861 3.3975 N.3 1 noname -0.3194 6 C3 1.8136 -2.2364 1.9822 C.3 1 noname -0.0275 7 C4 2.6546 -1.3131 1.0983 C.3 1 noname -0.0414 8 C5 2.1004 -1.3285 -0.3278 C.3 1 noname -0.0051 9 C6 0.7158 -0.8639 -0.3171 C.2 1 noname -0.0754 10 C7 2.9481 -0.5078 -1.1883 C.2 1 noname -0.0754 11 C8 0.2761 0.1984 -1.0205 C.2 1 noname -0.0717 12 C9 2.5074 0.5544 -1.8914 C.2 1 noname -0.0717 13 C10 1.1214 1.0212 -1.8820 C.3 1 noname 0.0412 14 N2 1.0778 2.4093 -1.4253 N.3 1 noname -0.3212 15 H1 1.4280 -4.9252 4.7668 H 1 noname 0.2213 16 H2 2.3462 -1.2219 3.8436 H 1 noname 0.0571 17 H3 3.9543 -3.6760 3.3938 H 1 noname 0.1191 18 H4 4.5108 -2.0175 3.3938 H 1 noname 0.1191 19 H5 1.9522 -3.2483 1.6017 H 1 noname 0.0288 20 H6 0.8143 -1.8035 2.0282 H 1 noname 0.0288 21 H7 2.5160 -0.3011 1.4788 H 1 noname 0.0276 22 H8 3.6539 -1.7460 1.0522 H 1 noname 0.0276 23 H9 2.0873 -2.3250 -0.7692 H 1 noname 0.0389 24 H10 -0.0606 -1.3549 0.2696 H 1 noname 0.0579 25 H11 4.0118 -0.7072 -1.3183 H 1 noname 0.0579 26 H12 -0.7877 0.3966 -0.8896 H 1 noname 0.0592 27 H13 3.2850 1.0442 -2.4775 H 1 noname 0.0592 28 H14 0.7353 0.9446 -2.8985 H 1 noname 0.0552 29 H15 1.9369 2.9163 -1.2676 H 1 noname 0.1192 30 H16 0.1884 2.8613 -1.2676 H 1 noname 0.1192 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 9 11 2 11 10 12 2 12 11 13 1 13 12 13 1 14 13 14 1 15 3 15 1 16 4 16 1 17 5 17 1 18 5 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 7 22 1 23 8 23 1 24 9 24 1 25 10 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 14 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1