@MOLECULE l-gamma-glutamyl-l-leucine 38 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8468 2.4284 0.8465 O.3 1 UNL1111111111 -0.5735 2 O -0.3238 -0.1859 -1.7795 O.2 1 UNL1111111111 -0.5374 3 OXT -4.2334 1.7161 -0.7469 O.2 1 UNL1111111111 -0.4837 4 O 3.8986 1.2254 1.4738 O.3 1 UNL1111111111 -0.5718 5 OXT 4.3391 -0.9588 1.3537 O.2 1 UNL1111111111 -0.4925 6 N -1.0120 0.6402 0.2091 N.am 1 UNL1111111111 -0.6010 7 N 4.8363 -0.4608 -1.4207 N.3 1 UNL1111111111 -0.6395 8 CB -2.9418 -0.6530 1.1024 C.3 1 UNL1111111111 -0.3133 9 CG -2.8398 -2.1584 0.7811 C.3 1 UNL1111111111 -0.0500 10 CA -2.4006 0.2573 -0.0186 C.3 1 UNL1111111111 0.0369 11 CD1 -1.3962 -2.5850 0.5069 C.3 1 UNL1111111111 -0.4606 12 CD2 -3.7413 -2.5348 -0.3990 C.3 1 UNL1111111111 -0.4579 13 C 1.3540 0.8437 -0.4002 C.3 1 UNL1111111111 -0.3555 14 C 2.3604 -0.1399 -0.9970 C.3 1 UNL1111111111 -0.3073 15 C -0.0446 0.3796 -0.7423 C.2 1 UNL1111111111 0.5943 16 CA 3.8078 0.2944 -0.6920 C.3 1 UNL1111111111 -0.0049 17 C -3.2714 1.5103 -0.0610 C.2 1 UNL1111111111 0.5963 18 C 4.0679 0.0642 0.7888 C.2 1 UNL1111111111 0.6283 19 HB1 -2.4059 -0.4437 2.0491 H 1 UNL1111111111 0.1529 20 HB2 -4.0051 -0.4102 1.3067 H 1 UNL1111111111 0.1547 21 HG -3.2014 -2.7108 1.6868 H 1 UNL1111111111 0.1305 22 HA -2.4910 -0.2625 -1.0231 H 1 UNL1111111111 0.2130 23 H -0.8095 1.1295 1.0679 H 1 UNL1111111111 0.3240 24 HD11 -1.3154 -3.6734 0.4146 H 1 UNL1111111111 0.1438 25 HD12 -0.7218 -2.2688 1.3085 H 1 UNL1111111111 0.1414 26 HD13 -1.0181 -2.1562 -0.4315 H 1 UNL1111111111 0.1644 27 HD21 -3.7570 -3.6202 -0.5504 H 1 UNL1111111111 0.1471 28 HD22 -3.3951 -2.0894 -1.3396 H 1 UNL1111111111 0.1530 29 HD23 -4.7746 -2.2082 -0.2401 H 1 UNL1111111111 0.1464 30 H 1.5038 1.8624 -0.8212 H 1 UNL1111111111 0.1798 31 H 1.5097 0.9498 0.6923 H 1 UNL1111111111 0.1702 32 H 2.2077 -0.2069 -2.0965 H 1 UNL1111111111 0.1765 33 H 2.1708 -1.1662 -0.6219 H 1 UNL1111111111 0.1640 34 HA 3.9476 1.3845 -0.9407 H 1 UNL1111111111 0.1819 35 H1 4.8673 -1.4352 -1.1555 H 1 UNL1111111111 0.2695 36 H2 4.7314 -0.3828 -2.4192 H 1 UNL1111111111 0.2642 37 H -3.3822 3.2598 0.8508 H 1 UNL1111111111 0.3592 38 H 4.0853 1.1496 2.4412 H 1 UNL1111111111 0.3568 @BOND 1 1 17 1 2 1 37 1 3 2 15 2 4 3 17 2 5 4 18 1 6 4 38 1 7 5 18 2 8 6 10 1 9 6 15 am 10 6 23 1 11 7 16 1 12 7 35 1 13 7 36 1 14 8 9 1 15 8 10 1 16 8 19 1 17 8 20 1 18 9 11 1 19 9 12 1 20 9 21 1 21 10 17 1 22 10 22 1 23 11 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 12 29 1 29 13 14 1 30 13 15 1 31 13 30 1 32 13 31 1 33 14 16 1 34 14 32 1 35 14 33 1 36 16 18 1 37 16 34 1