@MOLECULE r-(-)-sec-butylamine 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0680 0.0259 0.1525 C.3 1 UNL111111111 -0.4327 2 C 0.7668 0.6597 -0.3359 C.3 1 UNL111111111 -0.2723 3 C -0.4596 -0.0008 0.3321 C.3 1 UNL111111111 0.0844 4 H -0.3060 -0.0292 1.4425 H 1 UNL111111111 0.1399 5 C -1.7265 0.8195 0.0143 C.3 1 UNL111111111 -0.5123 6 N -0.5736 -1.4060 -0.1151 N.3 1 UNL111111111 -0.6601 7 H 2.9328 0.4097 -0.3965 H 1 UNL111111111 0.1354 8 H 2.2337 0.2146 1.2183 H 1 UNL111111111 0.1400 9 H 2.0421 -1.0661 0.0212 H 1 UNL111111111 0.1642 10 H 0.7680 1.7433 -0.1157 H 1 UNL111111111 0.1354 11 H 0.6932 0.5731 -1.4355 H 1 UNL111111111 0.1349 12 H -1.8955 0.8988 -1.0635 H 1 UNL111111111 0.1480 13 H -2.6179 0.3676 0.4595 H 1 UNL111111111 0.1467 14 H -1.6470 1.8375 0.4090 H 1 UNL111111111 0.1532 15 H -1.4078 -1.8462 0.2342 H 1 UNL111111111 0.2480 16 H -0.5553 -1.4900 -1.1172 H 1 UNL111111111 0.2471 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 1 7 1 7 1 8 1 8 1 9 1 9 2 10 1 10 2 11 1 11 5 12 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1