@MOLECULE l-prolyl-l-prolyl-l-proline 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3280 -0.1449 1.1159 O.2 1 PRO1111111111 -0.5499 2 O 1.7013 0.5887 -1.5229 O.2 1 PRO1111111111 -0.5567 3 O -4.2018 1.2483 1.9275 O.3 2 PRO2222222222 -0.5778 4 OXT -3.9646 -0.7846 1.0483 O.2 2 PRO2222222222 -0.4845 5 N 1.5128 -1.4085 -0.5236 N.am 1 PRO1111111111 -0.4870 6 N -1.8171 0.1253 -0.5379 N.am 2 PRO2222222222 -0.5030 7 N 4.3036 1.0557 -0.7251 N.3 1 PRO1111111111 -0.5213 8 CA 0.0834 -1.4712 -0.8599 C.3 1 PRO1111111111 0.0249 9 CB -0.3691 -2.8801 -0.4294 C.3 1 PRO1111111111 -0.2758 10 CD 1.8441 -2.3771 0.5397 C.3 1 PRO1111111111 -0.0613 11 CG 0.5971 -3.2765 0.7025 C.3 1 PRO1111111111 -0.2684 12 CA -2.5785 1.1036 0.2418 C.3 2 PRO2222222222 0.0408 13 CA 3.4910 0.0429 -0.0039 C.3 1 PRO1111111111 -0.0287 14 C -0.6736 -0.4314 -0.0146 C.2 1 PRO1111111111 0.5548 15 CD -2.1932 0.1431 -1.9620 C.3 2 PRO2222222222 -0.0531 16 C 2.1723 -0.2087 -0.7311 C.2 1 PRO1111111111 0.5463 17 CB -3.2691 2.0162 -0.7923 C.3 2 PRO2222222222 -0.2766 18 CG -3.3297 1.1822 -2.0838 C.3 2 PRO2222222222 -0.2788 19 CB 3.1695 0.5823 1.4157 C.3 1 PRO1111111111 -0.2971 20 CG 3.6113 2.0529 1.3994 C.3 1 PRO1111111111 -0.2892 21 CD 4.6321 2.1317 0.2465 C.3 1 PRO1111111111 -0.1045 22 C -3.6222 0.3636 1.0697 C.2 2 PRO2222222222 0.6135 23 HA -0.0379 -1.2876 -1.9549 H 1 PRO1111111111 0.1704 24 HB1 -0.2995 -3.5840 -1.2764 H 1 PRO1111111111 0.1508 25 HB2 -1.4206 -2.8936 -0.0931 H 1 PRO1111111111 0.1629 26 HD1 2.0873 -1.8680 1.4959 H 1 PRO1111111111 0.1408 27 HD2 2.7319 -2.9614 0.2184 H 1 PRO1111111111 0.1395 28 HG1 0.1260 -3.1047 1.6881 H 1 PRO1111111111 0.1574 29 HG2 0.8588 -4.3438 0.6556 H 1 PRO1111111111 0.1416 30 HA -1.9034 1.6772 0.9380 H 2 PRO2222222222 0.1967 31 HA 4.1061 -0.8895 0.0397 H 1 PRO1111111111 0.1619 32 HD1 -2.5306 -0.8682 -2.2720 H 2 PRO2222222222 0.1411 33 HD2 -1.3197 0.4305 -2.5894 H 2 PRO2222222222 0.1495 34 HB1 -2.6751 2.9366 -0.9435 H 2 PRO2222222222 0.1596 35 HB2 -4.2666 2.3457 -0.4584 H 2 PRO2222222222 0.1601 36 HG1 -4.3081 0.6804 -2.1819 H 2 PRO2222222222 0.1488 37 HG2 -3.2068 1.8105 -2.9798 H 2 PRO2222222222 0.1491 38 HB1 3.7196 0.0111 2.1803 H 1 PRO1111111111 0.1440 39 HB2 2.0950 0.4895 1.6664 H 1 PRO1111111111 0.1696 40 HG1 2.7512 2.7190 1.2120 H 1 PRO1111111111 0.1471 41 HG2 4.0463 2.3645 2.3595 H 1 PRO1111111111 0.1412 42 H 3.7799 1.4265 -1.5235 H 1 PRO1111111111 0.2762 43 HD1 4.6408 3.1216 -0.2424 H 1 PRO1111111111 0.1278 44 HD2 5.6618 1.9356 0.6156 H 1 PRO1111111111 0.1413 45 H -4.8695 0.8414 2.5295 H 2 PRO2222222222 0.3562 @BOND 1 1 14 2 2 2 16 2 3 3 22 1 4 3 45 1 5 4 22 2 6 5 8 1 7 5 10 1 8 5 16 am 9 6 12 1 10 6 14 am 11 6 15 1 12 7 13 1 13 7 21 1 14 7 42 1 15 8 9 1 16 8 14 1 17 8 23 1 18 9 11 1 19 9 24 1 20 9 25 1 21 10 11 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 12 17 1 27 12 22 1 28 12 30 1 29 13 16 1 30 13 19 1 31 13 31 1 32 15 18 1 33 15 32 1 34 15 33 1 35 17 18 1 36 17 34 1 37 17 35 1 38 18 36 1 39 18 37 1 40 19 20 1 41 19 38 1 42 19 39 1 43 20 21 1 44 20 40 1 45 20 41 1 46 21 43 1 47 21 44 1