@MOLECULE n-[(2-naphthylamino)methyl]alanine 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2505 1.5528 0.9537 O.3 1 ALA1111111111 -0.5669 2 OXT 4.5975 1.0497 -1.1927 O.2 1 ALA1111111111 -0.4984 3 N 2.7734 -1.0901 -0.2497 N.3 1 ALA1111111111 -0.5966 4 N 0.6121 -2.2655 0.0798 N.pl3 0 UNK0 -0.5795 5 CA 2.5093 0.3458 -0.0889 C.3 1 ALA1 0.0261 6 C 1.9703 -1.9967 0.5751 C.3 0 UNK0 0.1056 7 C -0.4215 -1.3397 0.2813 C.ar 0 UNK0 0.2467 8 C -2.5385 -0.3808 -0.4321 C.ar 0 UNK0 0.0728 9 C -2.5740 0.4194 0.7316 C.ar 0 UNK0 -0.0821 10 C -1.4459 -1.2543 -0.6490 C.ar 0 UNK0 -0.3378 11 C -0.4682 -0.5432 1.4672 C.ar 0 UNK0 -0.2485 12 C -1.5163 0.3105 1.6759 C.ar 0 UNK0 -0.0848 13 CB 1.5980 0.9579 -1.1540 C.3 1 ALA1 -0.4937 14 C -3.6039 -0.2822 -1.3720 C.ar 0 UNK0 -0.1817 15 C -3.6636 1.3074 0.9366 C.ar 0 UNK0 -0.1187 16 C 3.8878 0.9911 -0.2275 C.2 1 ALA1 0.6295 17 C -4.6449 0.5813 -1.1502 C.ar 0 UNK0 -0.1161 18 C -4.6764 1.3873 0.0157 C.ar 0 UNK0 -0.1789 19 HA 2.0955 0.5524 0.9358 H 1 ALA1 0.1748 20 H 2.5125 -2.9819 0.5980 H 0 UNK0 0.1546 21 H 1.9295 -1.6173 1.6252 H 0 UNK0 0.1535 22 H 2.8376 -1.3651 -1.2259 H 1 ALA1 0.2854 23 H 0.5785 -2.7699 -0.8000 H 0 UNK0 0.2931 24 H -1.4348 -1.8575 -1.5512 H 0 UNK0 0.1623 25 H 0.3208 -0.6395 2.2087 H 0 UNK0 0.1626 26 H -1.5603 0.9210 2.5792 H 0 UNK0 0.1538 27 HB1 0.5955 0.5077 -1.1315 H 1 ALA1 0.1722 28 HB2 1.4629 2.0361 -0.9974 H 1 ALA1 0.1666 29 HB3 1.9999 0.8266 -2.1670 H 1 ALA1 0.1676 30 H -3.5724 -0.9052 -2.2633 H 0 UNK0 0.1558 31 H -3.6781 1.9197 1.8368 H 0 UNK0 0.1488 32 H -5.4629 0.6615 -1.8644 H 0 UNK0 0.1486 33 H -5.5147 2.0639 0.1638 H 0 UNK0 0.1506 34 H 5.1475 1.9649 0.9425 H 1 ALA1 0.3532 @BOND 1 1 16 1 2 1 34 1 3 2 16 2 4 3 5 1 5 3 6 1 6 3 22 1 7 4 6 1 8 4 7 1 9 4 23 1 10 5 13 1 11 5 16 1 12 5 19 1 13 6 20 1 14 6 21 1 15 7 10 ar 16 7 11 ar 17 8 9 ar 18 8 10 ar 19 8 14 ar 20 9 12 ar 21 9 15 ar 22 10 24 1 23 11 12 ar 24 11 25 1 25 12 26 1 26 13 27 1 27 13 28 1 28 13 29 1 29 14 17 ar 30 14 30 1 31 15 18 ar 32 15 31 1 33 17 18 ar 34 17 32 1 35 18 33 1