@MOLECULE DB02447 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 2.4746 -0.3652 1.4194 O.2 1 noname -0.2514 2 C1 1.7212 -0.5291 0.4355 C.2 1 noname 0.1547 3 N1 1.8989 -1.3744 -0.6753 N.3 1 noname 0.1161 4 C2 0.3711 0.1426 0.1390 C.3 1 noname 0.2687 5 O2 2.7840 -2.3239 -0.7479 O.3 1 noname -0.2688 6 C3 1.0530 -1.0743 -1.6229 C.2 1 noname 0.0390 7 O3 -0.6413 -0.5601 0.9164 O.3 1 noname -0.3353 8 N2 0.2153 -0.2174 -1.1853 N.2 1 noname -0.1690 9 C4 0.3747 1.7061 0.1721 C.3 1 noname 0.1412 10 O4 1.0627 -1.5783 -2.8428 O.3 1 noname -0.2387 11 C5 -1.1314 0.0490 2.1323 C.3 1 noname 0.1127 12 O5 1.3716 2.1580 1.0767 O.3 1 noname -0.3845 13 C6 -1.0039 2.2169 0.6303 C.3 1 noname 0.1138 14 C7 -1.5633 1.5294 1.9170 C.3 1 noname 0.1112 15 C8 -2.3187 -0.7566 2.6636 C.3 1 noname 0.0722 16 O6 -1.9386 2.0712 -0.4287 O.3 1 noname -0.3873 17 O7 -1.2065 2.2971 3.0571 O.3 1 noname -0.3874 18 O8 -1.9044 -2.0875 2.9346 O.3 1 noname -0.3934 19 H1 3.0363 -2.5945 0.1380 H 1 noname 0.2389 20 H2 0.6530 2.1399 -0.7884 H 1 noname 0.0686 21 H3 1.0623 -2.5370 -2.7929 H 1 noname 0.2210 22 H4 -0.2798 -0.0007 2.8108 H 1 noname 0.0657 23 H5 1.0711 2.0218 1.9782 H 1 noname 0.2108 24 H6 -0.9119 3.2874 0.8138 H 1 noname 0.0658 25 H7 -2.6517 1.5499 1.8617 H 1 noname 0.0657 26 H8 -2.6052 -0.3390 3.6288 H 1 noname 0.0591 27 H9 -3.0558 -0.8384 1.8648 H 1 noname 0.0591 28 H10 -2.0878 1.1380 -0.5977 H 1 noname 0.2106 29 H11 -0.9799 1.7087 3.7810 H 1 noname 0.2106 30 H12 -1.8623 -2.2225 3.8841 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 4 9 1 9 6 10 1 10 6 8 2 11 7 11 1 12 9 12 1 13 9 13 1 14 11 14 1 15 11 15 1 16 13 16 1 17 13 14 1 18 14 17 1 19 15 18 1 20 5 19 1 21 9 20 1 22 10 21 1 23 11 22 1 24 12 23 1 25 13 24 1 26 14 25 1 27 15 26 1 28 15 27 1 29 16 28 1 30 17 29 1 31 18 30 1 @SUBSTRUCTURE 1 noname 1