@MOLECULE 3-(2-naphthyl)-l-alanyl-l-glutamine 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6456 -1.5287 -1.8017 O.2 1 UNL1111111111 -0.4821 2 O -0.7437 1.7186 1.4410 O.3 1 UNL1111111111 -0.5813 3 OXT -1.5983 3.1123 -0.0637 O.2 1 UNL1111111111 -0.4826 4 OE1 -5.8857 0.4709 -0.9623 O.2 1 UNL1111111111 -0.5177 5 N -1.1385 -0.4759 0.1384 N.am 1 UNL1111111111 -0.6261 6 N -0.9240 -3.8721 -0.0116 N.3 1 UNL1111111111 -0.6427 7 NE2 -6.3207 0.4797 1.2370 N.am 1 UNL1111111111 -0.7092 8 CA -0.0855 -2.6910 0.2746 C.3 1 UNL1111111111 -0.0123 9 C 1.3742 -2.9897 -0.1266 C.3 1 UNL1111111111 -0.2936 10 CA -1.6347 0.7168 -0.5450 C.3 1 UNL1111111111 0.0381 11 CB -3.1550 0.6389 -0.7937 C.3 1 UNL1111111111 -0.2718 12 C 2.2609 -1.8170 0.1598 C.ar 1 UNL1111111111 -0.0089 13 C -0.6266 -1.5389 -0.5945 C.2 1 ACE1111111111 0.5735 14 CG -3.9695 0.5913 0.5003 C.3 1 UNL1111111111 -0.3596 15 C 2.4986 -0.8828 -0.8182 C.ar 1 UNL1111111111 -0.1711 16 C 3.3588 0.2191 -0.5673 C.ar 1 UNL1111111111 0.0002 17 C 2.8645 -1.6817 1.4376 C.ar 1 UNL1111111111 -0.1700 18 C 3.9673 0.3493 0.6996 C.ar 1 UNL1111111111 -0.0153 19 C -1.3411 1.9821 0.2482 C.2 1 UNL1111111111 0.6035 20 C 3.7003 -0.6270 1.6990 C.ar 1 UNL1111111111 -0.1452 21 C 3.6252 1.1910 -1.5711 C.ar 1 UNL1111111111 -0.1531 22 C 4.8339 1.4511 0.9434 C.ar 1 UNL1111111111 -0.1561 23 CD -5.4428 0.5149 0.1649 C.2 1 UNL1111111111 0.5983 24 C 4.4634 2.2438 -1.3118 C.ar 1 UNL1111111111 -0.1432 25 C 5.0748 2.3764 -0.0392 C.ar 1 UNL1111111111 -0.1462 26 HA -0.1075 -2.4084 1.3591 H 1 UNL1111111111 0.1203 27 H 1.7329 -3.8935 0.4078 H 1 UNL1111111111 0.1547 28 H 1.4092 -3.2608 -1.2074 H 1 UNL1111111111 0.1893 29 HA -1.1124 0.8094 -1.5506 H 1 UNL1111111111 0.2008 30 HB1 -3.3720 -0.2587 -1.4173 H 1 UNL1111111111 0.1858 31 HB2 -3.4804 1.5007 -1.4167 H 1 UNL1111111111 0.1784 32 H -1.0382 -0.4171 1.1385 H 1 UNL1111111111 0.3239 33 HG1 -3.6717 -0.2866 1.1091 H 1 UNL1111111111 0.1676 34 HG2 -3.7624 1.4857 1.1227 H 1 UNL1111111111 0.1668 35 H 2.0294 -0.9740 -1.7999 H 1 UNL1111111111 0.1742 36 H 2.6561 -2.4292 2.1998 H 1 UNL1111111111 0.1507 37 H1 -1.9008 -3.7053 0.1654 H 1 UNL1111111111 0.2595 38 H2 -0.6160 -4.6869 0.4894 H 1 UNL1111111111 0.2576 39 H 4.1729 -0.5152 2.6763 H 1 UNL1111111111 0.1522 40 H 3.1522 1.0749 -2.5470 H 1 UNL1111111111 0.1588 41 H 5.3007 1.5404 1.9220 H 1 UNL1111111111 0.1515 42 H 4.6733 2.9912 -2.0746 H 1 UNL1111111111 0.1528 43 H 5.7365 3.2225 0.1407 H 1 UNL1111111111 0.1515 44 H -0.5001 2.5279 1.9556 H 1 UNL1111111111 0.3657 45 HE21 -6.0296 0.5470 2.1837 H 1 UNL1111111111 0.2994 46 HE22 -7.3070 0.4433 1.0677 H 1 UNL1111111111 0.3131 @BOND 1 1 13 2 2 2 19 1 3 2 44 1 4 3 19 2 5 4 23 2 6 5 10 1 7 5 13 am 8 5 32 1 9 6 8 1 10 6 37 1 11 6 38 1 12 7 23 am 13 7 45 1 14 7 46 1 15 8 9 1 16 8 13 1 17 8 26 1 18 9 12 1 19 9 27 1 20 9 28 1 21 10 11 1 22 10 19 1 23 10 29 1 24 11 14 1 25 11 30 1 26 11 31 1 27 12 15 ar 28 12 17 ar 29 14 23 1 30 14 33 1 31 14 34 1 32 15 16 ar 33 15 35 1 34 16 18 ar 35 16 21 ar 36 17 20 ar 37 17 36 1 38 18 20 ar 39 18 22 ar 40 20 39 1 41 21 24 ar 42 21 40 1 43 22 25 ar 44 22 41 1 45 24 25 ar 46 24 42 1 47 25 43 1