@MOLECULE n-carboxy-3-(methylamino)-l-alanine 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6660 -2.5757 0.8721 O.3 1 UNL1111111111 -0.5416 2 OXT 0.4873 -2.3255 -1.0266 O.2 1 UNL1111111111 -0.4869 3 O 2.7088 1.4560 -0.7290 O.3 1 UNL1111111111 -0.5505 4 O 1.9840 0.9429 1.3560 O.2 1 UNL1111111111 -0.5306 5 N 0.7351 0.4182 -0.5287 N.am 1 UNL1111111111 -0.5840 6 N -1.9945 1.3952 0.3003 N.3 1 UNL1111111111 -0.5058 7 CA -0.2659 -0.3482 0.2074 C.3 1 UNL1111111111 0.0092 8 C -1.6918 0.0553 -0.2503 C.3 1 UNL1111111111 -0.1320 9 C -0.0752 -1.8310 -0.0882 C.2 1 UNL1111111111 0.5864 10 C -3.2649 1.9199 -0.2358 C.3 1 UNL1111111111 -0.2745 11 C 1.8232 0.9152 0.1591 C.2 1 UNL1111111111 0.7464 12 HA -0.1659 -0.1561 1.3223 H 1 UNL1111111111 0.2274 13 H -1.7781 -0.0013 -1.3561 H 1 UNL1111111111 0.1265 14 H -2.4320 -0.6623 0.1789 H 1 UNL1111111111 0.1667 15 H 0.7788 0.3012 -1.5358 H 1 UNL1111111111 0.3367 16 H -1.2246 2.0371 0.1045 H 1 UNL1111111111 0.2623 17 H -4.0925 1.2520 0.0572 H 1 UNL1111111111 0.1479 18 H -3.2862 2.0444 -1.3287 H 1 UNL1111111111 0.1175 19 H -3.4607 2.9007 0.2315 H 1 UNL1111111111 0.1496 20 H -0.5627 -3.5532 0.7407 H 1 UNL1111111111 0.3599 21 H 3.4767 1.8813 -0.2646 H 1 UNL1111111111 0.3695 @BOND 1 1 9 1 2 1 20 1 3 2 9 2 4 3 11 1 5 3 21 1 6 4 11 2 7 5 7 1 8 5 11 am 9 5 15 1 10 6 8 1 11 6 10 1 12 6 16 1 13 7 8 1 14 7 9 1 15 7 12 1 16 8 13 1 17 8 14 1 18 10 17 1 19 10 18 1 20 10 19 1