@MOLECULE d-leucylglycine 29 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0116 1.7955 1.1863 O.2 1 LEU1111111111 -0.5315 2 O 1.9871 -1.3510 -0.4533 O.3 2 GLY2222222222 -0.5658 3 OXT 3.8895 -0.6048 0.4381 O.2 2 GLY2222222222 -0.4910 4 N -2.3362 2.3412 -0.3432 N.3 1 LEU1111111111 -0.6374 5 N 0.8395 0.9590 -0.7475 N.am 2 GLY2222222222 -0.5722 6 CG -1.5871 -1.4411 0.1252 C.3 1 LEU1111111111 -0.0637 7 CB -2.2371 -0.0748 0.4090 C.3 1 LEU1111111111 -0.3435 8 CA -1.6174 1.0571 -0.4359 C.3 1 LEU1111111111 -0.0231 9 CD1 -2.0055 -1.9764 -1.2485 C.3 1 LEU1111111111 -0.4536 10 CD2 -1.9958 -2.4339 1.2199 C.3 1 LEU1111111111 -0.4515 11 C -0.2011 1.3059 0.0972 C.2 1 LEU1111111111 0.5769 12 CA 2.2066 1.0092 -0.2543 C.3 2 GLY2222222222 -0.1367 13 C 2.8105 -0.3588 -0.0281 C.2 2 GLY2222222222 0.6078 14 HG -0.4733 -1.3321 0.1465 H 1 LEU1111111111 0.1436 15 HB1 -2.1355 0.1713 1.4863 H 1 LEU1111111111 0.1639 16 HB2 -3.3242 -0.1324 0.2167 H 1 LEU1111111111 0.1494 17 HA -1.6110 0.7685 -1.5196 H 1 LEU1111111111 0.1585 18 HD11 -1.5633 -2.9617 -1.4373 H 1 LEU1111111111 0.1475 19 HD12 -1.6846 -1.3165 -2.0598 H 1 LEU1111111111 0.1359 20 HD13 -3.0927 -2.0884 -1.3229 H 1 LEU1111111111 0.1464 21 HD21 -3.0824 -2.5626 1.2630 H 1 LEU1111111111 0.1450 22 HD22 -1.5551 -3.4215 1.0442 H 1 LEU1111111111 0.1464 23 HD23 -1.6606 -2.0990 2.2085 H 1 LEU1111111111 0.1484 24 H1 -2.1588 2.8066 0.5382 H 1 LEU1111111111 0.2699 25 H2 -3.3292 2.2250 -0.4639 H 1 LEU1111111111 0.2553 26 H 0.6835 0.4344 -1.5945 H 2 GLY2222222222 0.3192 27 HA1 2.2521 1.5865 0.7146 H 2 GLY2222222222 0.2163 28 HA2 2.8505 1.5728 -0.9770 H 2 GLY2222222222 0.1789 29 H 2.3523 -2.2586 -0.3007 H 2 GLY2222222222 0.3607 @BOND 1 1 11 2 2 2 13 1 3 2 29 1 4 3 13 2 5 4 8 1 6 4 24 1 7 4 25 1 8 5 11 am 9 5 12 1 10 5 26 1 11 6 7 1 12 6 9 1 13 6 10 1 14 6 14 1 15 7 8 1 16 7 15 1 17 7 16 1 18 8 11 1 19 8 17 1 20 9 18 1 21 9 19 1 22 9 20 1 23 10 21 1 24 10 22 1 25 10 23 1 26 12 13 1 27 12 27 1 28 12 28 1