@MOLECULE 1-benzyl-l-proline 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6687 -0.8253 -0.6175 O.3 1 UNL1111111111 -0.5699 2 O -2.2789 -2.1848 0.4546 O.2 1 UNL1111111111 -0.4954 3 N -0.6292 0.2373 0.1464 N.3 1 UNL1111111111 -0.4251 4 C -1.9944 0.2340 0.7246 C.3 1 UNL1111111111 -0.0122 5 C -2.7169 1.5084 0.2470 C.3 1 UNL1111111111 -0.2844 6 C -0.5631 1.2980 -0.8942 C.3 1 UNL1111111111 -0.1041 7 C -1.9662 1.9251 -1.0262 C.3 1 UNL1111111111 -0.2832 8 C 0.4305 0.3585 1.1727 C.3 1 UNL1111111111 -0.1249 9 C -2.6074 -1.0589 0.1993 C.2 1 UNL1111111111 0.6343 10 C 1.7654 0.0709 0.5351 C.ar 1 UNL1111111111 -0.0108 11 C 1.9120 -1.0540 -0.2795 C.ar 1 UNL1111111111 -0.1341 12 C 2.8543 0.9092 0.7721 C.ar 1 UNL1111111111 -0.1806 13 C 3.1440 -1.3336 -0.8633 C.ar 1 UNL1111111111 -0.1460 14 C 4.0888 0.6212 0.1920 C.ar 1 UNL1111111111 -0.1447 15 C 4.2338 -0.4960 -0.6279 C.ar 1 UNL1111111111 -0.1558 16 H -1.9935 0.1674 1.8415 H 1 UNL1111111111 0.1553 17 H -2.6609 2.2957 1.0175 H 1 UNL1111111111 0.1394 18 H -3.7907 1.3404 0.0541 H 1 UNL1111111111 0.1662 19 H -0.2507 0.7964 -1.8360 H 1 UNL1111111111 0.1515 20 H 0.2034 2.0636 -0.6690 H 1 UNL1111111111 0.1296 21 H -2.4824 1.5365 -1.9227 H 1 UNL1111111111 0.1531 22 H -1.9186 3.0175 -1.1397 H 1 UNL1111111111 0.1388 23 H 0.2425 -0.4123 1.9614 H 1 UNL1111111111 0.1611 24 H 0.4273 1.3471 1.6814 H 1 UNL1111111111 0.1246 25 H 1.0502 -1.7012 -0.4597 H 1 UNL1111111111 0.1772 26 H 2.7473 1.7854 1.4060 H 1 UNL1111111111 0.1464 27 H -4.0664 -1.6494 -0.9864 H 1 UNL1111111111 0.3512 28 H 3.2555 -2.2067 -1.5029 H 1 UNL1111111111 0.1501 29 H 4.9402 1.2712 0.3797 H 1 UNL1111111111 0.1461 30 H 5.1963 -0.7152 -1.0837 H 1 UNL1111111111 0.1463 @BOND 1 1 9 1 2 1 27 1 3 2 9 2 4 3 4 1 5 3 6 1 6 3 8 1 7 4 5 1 8 4 9 1 9 4 16 1 10 5 7 1 11 5 17 1 12 5 18 1 13 6 7 1 14 6 19 1 15 6 20 1 16 7 21 1 17 7 22 1 18 8 10 1 19 8 23 1 20 8 24 1 21 10 11 ar 22 10 12 ar 23 11 13 ar 24 11 25 1 25 12 14 ar 26 12 26 1 27 13 15 ar 28 13 28 1 29 14 15 ar 30 14 29 1 31 15 30 1