@MOLECULE 3-[(chloroacetyl)amino]-l-alanine 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4537 1.3005 -0.2448 Cl 1 UNL1111111111 -0.1080 2 O 0.8381 1.6335 -0.2308 O.3 1 UNL1111111111 -0.5635 3 OXT 2.9505 1.4302 0.4640 O.2 1 UNL1111111111 -0.4974 4 O -1.4260 -2.2194 -0.4387 O.2 1 UNL1111111111 -0.4978 5 N -0.3555 -0.6584 0.8189 N.am 1 UNL1111111111 -0.5788 6 N 3.0787 -1.2120 -0.5793 N.3 1 UNL1111111111 -0.6184 7 CA 1.7939 -0.5273 -0.4415 C.3 1 UNL1111111111 -0.0420 8 C 0.9502 -1.2844 0.6279 C.3 1 UNL1111111111 -0.0748 9 C 1.9709 0.9237 -0.0127 C.2 1 UNL1111111111 0.5703 10 C -1.4571 -1.1595 0.1478 C.2 1 UNL1111111111 0.5677 11 C -2.7376 -0.3604 0.2810 C.3 1 UNL1111111111 -0.2937 12 HA 1.2469 -0.5603 -1.4257 H 1 UNL1111111111 0.1919 13 H 1.4837 -1.3146 1.6042 H 1 UNL1111111111 0.1542 14 H 0.8315 -2.3490 0.2953 H 1 UNL1111111111 0.1995 15 H -0.3381 0.3069 1.1290 H 1 UNL1111111111 0.3223 16 H1 3.6695 -1.1056 0.2334 H 1 UNL1111111111 0.2685 17 H2 3.5874 -0.9221 -1.4003 H 1 UNL1111111111 0.2659 18 H -3.5307 -0.7834 -0.3663 H 1 UNL1111111111 0.1918 19 H -3.1060 -0.3356 1.3199 H 1 UNL1111111111 0.1798 20 H 0.9157 2.6003 -0.0244 H 1 UNL1111111111 0.3626 @BOND 1 1 11 1 2 2 9 1 3 2 20 1 4 3 9 2 5 4 10 2 6 5 8 1 7 5 10 am 8 5 15 1 9 6 7 1 10 6 16 1 11 6 17 1 12 7 8 1 13 7 9 1 14 7 12 1 15 8 13 1 16 8 14 1 17 10 11 1 18 11 18 1 19 11 19 1