5950 Marvin 02230614463D L_alanine charge=0 13 12 0 0 1 0 999 V2000 0.7556 -0.3209 1.3214 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 0.3607 0.1157 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1887 0.3881 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 1.4421 0.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -0.3393 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 -0.6568 0.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.2104 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 -0.2689 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 1.3791 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 -0.3281 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 0.1692 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 -1.3805 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -0.6550 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 M END