@MOLECULE tyrosyl-l-proline 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9139 1.4558 -1.1117 O.2 1 TYR1111111111 -0.5388 2 O 2.9600 -1.7751 -1.6567 O.3 2 PRO2222222222 -0.5489 3 OXT 0.8083 -1.9149 -1.0850 O.2 2 PRO2222222222 -0.5097 4 OH -3.8180 -2.2362 0.1526 O.3 1 TYR1111111111 -0.4796 5 N 1.4847 0.3102 0.7668 N.am 2 PRO2222222222 -0.5059 6 N 0.9398 3.7832 0.3422 N.3 1 TYR1111111111 -0.6270 7 CA 2.4112 -0.7655 0.3960 C.3 2 PRO2222222222 0.0351 8 CB 2.4026 -1.7277 1.6030 C.3 2 PRO2222222222 -0.2745 9 CG 1.0137 -1.5410 2.2380 C.3 2 PRO2222222222 -0.2777 10 CD 0.5622 -0.1211 1.8364 C.3 2 PRO2222222222 -0.0659 11 C 1.2619 1.3683 -0.0902 C.2 1 TYR1111111111 0.5169 12 CA 0.2784 2.4722 0.3352 C.3 1 TYR1111111111 0.0002 13 C 1.9158 -1.5232 -0.8322 C.2 2 PRO2222222222 0.6156 14 CB -0.8800 2.4717 -0.6902 C.3 1 TYR1111111111 -0.2832 15 CG -1.6884 1.2268 -0.5135 C.ar 1 TYR1111111111 -0.0931 16 CD1 -1.3724 0.0883 -1.2579 C.ar 1 TYR1111111111 -0.0783 17 CD2 -2.7250 1.1879 0.4245 C.ar 1 TYR1111111111 -0.1089 18 CE1 -2.0653 -1.1010 -1.0572 C.ar 1 TYR1111111111 -0.2772 19 CE2 -3.4367 0.0130 0.6372 C.ar 1 TYR1111111111 -0.2509 20 CZ -3.0907 -1.1172 -0.1103 C.ar 1 TYR1111111111 0.2781 21 HA 3.4258 -0.3285 0.1869 H 2 PRO2222222222 0.1899 22 HB1 3.2047 -1.4576 2.3132 H 2 PRO2222222222 0.1559 23 HB2 2.5873 -2.7739 1.3100 H 2 PRO2222222222 0.1560 24 HG1 0.3031 -2.2941 1.8484 H 2 PRO2222222222 0.1590 25 HG2 1.0407 -1.6663 3.3307 H 2 PRO2222222222 0.1480 26 HD1 -0.4922 -0.1201 1.4805 H 2 PRO2222222222 0.1551 27 HD2 0.6442 0.5875 2.6876 H 2 PRO2222222222 0.1386 28 HA -0.1286 2.2937 1.3605 H 1 TYR1111111111 0.1581 29 HB1 -0.4768 2.5520 -1.7225 H 1 TYR1111111111 0.1697 30 HB2 -1.4922 3.3848 -0.5463 H 1 TYR1111111111 0.1732 31 H1 1.2991 4.0363 -0.5651 H 1 TYR1111111111 0.2670 32 H2 1.6891 3.8266 1.0118 H 1 TYR1111111111 0.2538 33 H 2.7073 -2.2224 -2.5009 H 2 PRO2222222222 0.3554 34 HD1 -0.5630 0.1208 -1.9910 H 1 TYR1111111111 0.1681 35 HD2 -2.9771 2.0829 0.9926 H 1 TYR1111111111 0.1537 36 HE1 -1.7909 -1.9931 -1.6133 H 1 TYR1111111111 0.1727 37 HE2 -4.2475 -0.0418 1.3573 H 1 TYR1111111111 0.1708 38 HH -3.5132 -3.0071 -0.3865 H 1 TYR1111111111 0.3289 @BOND 1 1 11 2 2 2 13 1 3 2 33 1 4 3 13 2 5 4 20 1 6 4 38 1 7 5 7 1 8 5 10 1 9 5 11 am 10 6 12 1 11 6 31 1 12 6 32 1 13 7 8 1 14 7 13 1 15 7 21 1 16 8 9 1 17 8 22 1 18 8 23 1 19 9 10 1 20 9 24 1 21 9 25 1 22 10 26 1 23 10 27 1 24 11 12 1 25 12 14 1 26 12 28 1 27 14 15 1 28 14 29 1 29 14 30 1 30 15 16 ar 31 15 17 ar 32 16 18 ar 33 16 34 1 34 17 19 ar 35 17 35 1 36 18 20 ar 37 18 36 1 38 19 20 ar 39 19 37 1