@MOLECULE DB07577 30 31 1 SMALL USER_CHARGES @ATOM 1 N1 2.0531 1.2012 -0.0000 N.2 1 noname -0.2648 2 C1 1.3757 2.3572 -0.0000 C.2 1 noname 0.0722 3 C2 1.4187 0.0073 0.0000 C.2 1 noname 0.0398 4 N2 0.0263 2.3006 -0.0000 N.2 1 noname -0.2831 5 N3 2.0280 3.5362 -0.0000 N.3 1 noname -0.0806 6 N4 2.3358 -0.9866 0.0000 N.3 1 noname -0.1126 7 C3 -0.0246 -0.1211 0.0000 C.2 1 noname -0.0354 8 C4 -0.7180 1.1657 0.0000 C.2 1 noname 0.0166 9 C5 -0.6473 -1.4625 0.0000 C.2 1 noname -0.0371 10 C6 -2.1216 1.7173 0.0000 C.3 1 noname 0.0442 11 C7 -2.0739 -1.5837 -0.0000 C.2 1 noname -0.0429 12 C8 0.0694 -2.7403 0.0000 C.2 1 noname -0.0429 13 C9 -3.5193 1.0786 0.0000 C.3 1 noname -0.0598 14 C10 -2.7975 -2.8011 0.0000 C.2 1 noname -0.0556 15 C11 -0.6076 -4.0104 0.0000 C.2 1 noname -0.0556 16 C12 -2.0315 -4.0000 0.0000 C.2 1 noname -0.0571 17 H1 3.0379 3.5546 -0.0000 H 1 noname 0.1273 18 H2 1.5072 4.4015 -0.0000 H 1 noname 0.1273 19 H3 2.0354 -1.9509 0.0000 H 1 noname 0.1258 20 H4 3.3211 -0.7646 0.0000 H 1 noname 0.1258 21 H5 -2.1243 2.2623 0.9440 H 1 noname 0.0329 22 H6 -2.1243 2.2623 -0.9440 H 1 noname 0.0329 23 H7 -2.6622 -0.6661 -0.0000 H 1 noname 0.0629 24 H8 1.1594 -2.7464 0.0000 H 1 noname 0.0629 25 H9 -3.8498 0.9276 1.0277 H 1 noname 0.0234 26 H10 -4.2197 1.7371 -0.5138 H 1 noname 0.0234 27 H11 -3.4799 0.1181 -0.5138 H 1 noname 0.0234 28 H12 -3.8875 -2.8147 -0.0000 H 1 noname 0.0622 29 H13 -0.0584 -4.9520 0.0000 H 1 noname 0.0622 30 H14 -2.5593 -4.9536 0.0000 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 2 8 7 9 1 9 7 8 1 10 8 10 1 11 9 11 2 12 9 12 1 13 10 13 1 14 11 14 1 15 12 15 2 16 14 16 2 17 15 16 1 18 5 17 1 19 5 18 1 20 6 19 1 21 6 20 1 22 10 21 1 23 10 22 1 24 11 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 16 30 1 @SUBSTRUCTURE 1 noname 1