@MOLECULE DB04425 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.1894 -4.1887 1.6388 O.2 1 noname -0.2751 2 C1 2.4491 -2.9775 1.8152 C.2 1 noname 0.0908 3 N1 3.7498 -2.6287 2.0217 N.3 1 noname 0.0505 4 C2 1.4395 -1.9719 1.7841 C.2 1 noname 0.0939 5 C3 4.1298 -1.3291 2.2094 C.2 1 noname -0.0797 6 N2 0.0946 -2.1154 1.5806 N.2 1 noname -0.1867 7 C4 1.8914 -0.6477 1.9645 C.2 1 noname 0.0065 8 N3 3.1943 -0.3762 2.1753 N.2 1 noname -0.2164 9 N4 5.4055 -0.9463 2.4107 N.3 1 noname -0.1236 10 C5 -0.7777 -1.1435 1.4848 C.2 1 noname 0.0552 11 N5 1.0564 0.4020 1.8916 N.3 1 noname -0.1030 12 C6 -2.2262 -1.3640 1.2551 C.3 1 noname 0.1215 13 C7 -0.3107 0.2382 1.5688 C.3 1 noname 0.0428 14 O2 -2.4050 -1.6622 -0.1318 O.3 1 noname -0.3842 15 C8 -3.2860 -0.3243 1.7940 C.3 1 noname 0.1084 16 O3 -4.5608 -0.9668 1.7152 O.3 1 noname -0.3875 17 C9 -3.4809 1.0340 1.0656 C.3 1 noname 0.0721 18 O4 -2.6284 2.0808 1.5072 O.3 1 noname -0.3934 19 H1 4.4524 -3.3541 2.0360 H 1 noname 0.1400 20 H2 6.1351 -1.6406 2.4862 H 1 noname 0.1268 21 H3 5.6323 0.0350 2.4862 H 1 noname 0.1268 22 H4 1.4549 1.3110 2.0788 H 1 noname 0.1301 23 H5 -2.4228 -2.2660 1.8347 H 1 noname 0.0693 24 H6 -0.4117 0.6530 0.5659 H 1 noname 0.0496 25 H7 -0.8496 0.6893 2.4020 H 1 noname 0.0496 26 H8 -2.4209 -2.6141 -0.2550 H 1 noname 0.2111 27 H9 -2.9766 -0.0797 2.8102 H 1 noname 0.0656 28 H10 -4.8907 -1.1331 2.6012 H 1 noname 0.2106 29 H11 -3.1943 0.8875 0.0243 H 1 noname 0.0591 30 H12 -4.4807 1.3926 1.3104 H 1 noname 0.0591 31 H13 -2.6141 2.0984 2.4670 H 1 noname 0.2101 @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 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 8 1 12 10 12 1 13 10 13 1 14 11 13 1 15 12 14 1 16 12 15 1 17 15 16 1 18 15 17 1 19 17 18 1 20 3 19 1 21 9 20 1 22 9 21 1 23 11 22 1 24 12 23 1 25 13 24 1 26 13 25 1 27 14 26 1 28 15 27 1 29 16 28 1 30 17 29 1 31 17 30 1 32 18 31 1 @SUBSTRUCTURE 1 noname 1