@MOLECULE 73425484 14 13 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7029 -0.4415 0.6278 O.3 1 noname -0.3946 2 N1 1.5211 1.2549 0.1520 N.3 1 noname -0.3259 3 C1 1.5714 -0.1799 -0.1238 C.3 1 noname 0.0246 4 C2 0.1678 -0.6827 -0.4676 C.3 1 noname 0.0581 5 C3 2.5096 -0.4399 -1.3041 C.3 1 noname -0.0477 6 H1 1.9404 -0.7064 0.7564 H 1 noname 0.0483 7 H2 -0.2012 -0.1563 -1.3478 H 1 noname 0.0579 8 H3 0.2054 -1.7525 -0.6732 H 1 noname 0.0579 9 H4 2.5471 -1.5096 -1.5097 H 1 noname 0.0247 10 H5 2.1406 0.0866 -2.1843 H 1 noname 0.0247 11 H6 3.5095 -0.0817 -1.0591 H 1 noname 0.0247 12 H7 2.4586 1.5908 0.3816 H 1 noname 0.1187 13 H8 0.8944 1.4285 0.9404 H 1 noname 0.1187 14 H9 -1.6019 -0.7636 0.4076 H 1 noname 0.2100 @BOND 1 1 4 1 2 1 14 1 3 3 2 1 4 2 12 1 5 2 13 1 6 3 4 1 7 3 5 1 8 3 6 1 9 4 7 1 10 4 8 1 11 5 9 1 12 5 10 1 13 5 11 1 @SUBSTRUCTURE 1 noname 1