@MOLECULE l-pro-l-pro 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7296 0.7637 -1.2839 O.2 1 PRO1111111111 -0.5024 2 O 2.9871 1.9742 -0.3381 O.3 1 PRO1111111111 -0.5697 3 OXT 1.4906 1.4689 1.2349 O.2 1 PRO1111111111 -0.4996 4 N 0.5906 -0.7428 -0.3039 N.am 1 PRO1111111111 -0.5392 5 N -2.9995 -0.8299 -0.7764 N.3 1 PRO1111111111 -0.5045 6 CA -1.8580 -0.8333 0.1650 C.3 1 PRO1111111111 -0.0321 7 CA 1.7942 -0.0216 -0.7140 C.3 1 PRO1111111111 0.0502 8 CB 2.9458 -1.0290 -0.5185 C.3 1 PRO1111111111 -0.2764 9 CD 0.9136 -1.8404 0.6191 C.3 1 PRO1111111111 -0.0516 10 CG 2.4537 -1.9861 0.5829 C.3 1 PRO1111111111 -0.2802 11 CB -2.2272 0.0900 1.3595 C.3 1 PRO1111111111 -0.3010 12 C -0.6637 -0.1955 -0.5481 C.2 1 PRO1111111111 0.5869 13 CG -3.4076 0.9435 0.8576 C.3 1 PRO1111111111 -0.2924 14 CD -3.6485 0.4955 -0.6060 C.3 1 PRO1111111111 -0.1090 15 C 2.0169 1.1858 0.1943 C.2 1 PRO1111111111 0.6074 16 HA -1.6343 -1.8723 0.4879 H 1 PRO1111111111 0.1406 17 HA 1.6915 0.3309 -1.7765 H 1 PRO1111111111 0.1955 18 HB1 3.8939 -0.5344 -0.2516 H 1 PRO1111111111 0.1583 19 HB2 3.1365 -1.5739 -1.4611 H 1 PRO1111111111 0.1568 20 HD1 0.4148 -2.7698 0.2700 H 1 PRO1111111111 0.1375 21 HD2 0.5577 -1.6182 1.6478 H 1 PRO1111111111 0.1360 22 HG1 2.7543 -3.0246 0.3756 H 1 PRO1111111111 0.1451 23 HG2 2.8931 -1.7224 1.5600 H 1 PRO1111111111 0.1478 24 HB1 -1.3754 0.7223 1.6670 H 1 PRO1111111111 0.1650 25 HB2 -2.5036 -0.5030 2.2431 H 1 PRO1111111111 0.1397 26 HG1 -4.3033 0.7919 1.4777 H 1 PRO1111111111 0.1333 27 HG2 -3.1711 2.0192 0.9027 H 1 PRO1111111111 0.1514 28 HD1 -4.7166 0.4526 -0.8710 H 1 PRO1111111111 0.1258 29 HD2 -3.1479 1.1968 -1.3154 H 1 PRO1111111111 0.1742 30 H -3.6437 -1.5883 -0.5656 H 1 PRO1111111111 0.2499 31 H 3.1610 2.7977 0.1806 H 1 PRO1111111111 0.3568 @BOND 1 1 12 2 2 2 15 1 3 2 31 1 4 3 15 2 5 4 7 1 6 4 9 1 7 4 12 am 8 5 6 1 9 5 14 1 10 5 30 1 11 6 11 1 12 6 12 1 13 6 16 1 14 7 8 1 15 7 15 1 16 7 17 1 17 8 10 1 18 8 18 1 19 8 19 1 20 9 10 1 21 9 20 1 22 9 21 1 23 10 22 1 24 10 23 1 25 11 13 1 26 11 24 1 27 11 25 1 28 13 14 1 29 13 26 1 30 13 27 1 31 14 28 1 32 14 29 1