@MOLECULE DB03307 29 30 1 SMALL USER_CHARGES @ATOM 1 S1 -0.4055 -1.4321 -0.7205 S 1 noname -0.1276 2 O1 -0.6091 -2.8069 0.0519 O.2 1 noname -0.2002 3 O2 -0.4769 -1.6892 -2.2879 O.2 1 noname -0.2002 4 N1 -1.6521 -0.3212 -0.2603 N.3 1 noname -0.0111 5 C1 1.1388 -0.7661 -0.3151 C.2 1 noname -0.0052 6 C2 1.2735 0.6598 -0.2880 C.2 1 noname 0.0123 7 C3 2.2102 -1.6719 -0.0255 C.2 1 noname 0.0123 8 C4 2.5395 1.2059 0.0709 C.2 1 noname -0.0321 9 C5 3.4742 -1.1210 0.3329 C.2 1 noname -0.0321 10 C6 3.6326 0.3104 0.3488 C.2 1 noname -0.0001 11 N2 4.9012 0.8114 0.2726 N.3 1 noname 0.0077 12 C7 5.5577 0.9381 -0.9444 C.2 1 noname 0.0405 13 N3 6.8418 1.4555 -0.9300 N.2 1 noname -0.2634 14 C8 4.9276 0.5463 -2.1765 C.2 1 noname -0.0063 15 C9 7.5843 1.6250 -2.0739 C.2 1 noname 0.0494 16 C10 5.6807 0.7177 -3.3415 C.2 1 noname 0.0380 17 N4 6.9467 1.2392 -3.2258 N.2 1 noname -0.2651 18 N5 5.1815 0.3823 -4.5389 N.3 1 noname -0.1157 19 H1 -1.4337 0.6557 -0.1261 H 1 noname 0.1404 20 H2 -2.5975 -0.6504 -0.1261 H 1 noname 0.1404 21 H3 0.4354 1.3118 -0.5339 H 1 noname 0.0639 22 H4 2.0675 -2.7513 -0.0765 H 1 noname 0.0639 23 H5 2.6689 2.2865 0.1317 H 1 noname 0.0639 24 H6 4.3028 -1.7810 0.5896 H 1 noname 0.0639 25 H7 5.3600 1.0919 1.1275 H 1 noname 0.1357 26 H8 3.9191 0.1357 -2.2254 H 1 noname 0.0689 27 H9 8.5955 2.0319 -2.0680 H 1 noname 0.1062 28 H10 4.1860 0.2559 -4.6536 H 1 noname 0.1257 29 H11 5.8007 0.2559 -5.3268 H 1 noname 0.1257 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 2 18 16 18 1 19 16 17 1 20 4 19 1 21 4 20 1 22 6 21 1 23 7 22 1 24 8 23 1 25 9 24 1 26 11 25 1 27 14 26 1 28 15 27 1 29 18 28 1 30 18 29 1 @SUBSTRUCTURE 1 noname 1