@MOLECULE n-phosphono-l-leucyl-l-tryptophan 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 P 0.3966 2.2910 -0.1646 P.3 1 UNL1111111111 0.3094 2 O 1.4621 -1.0950 1.8524 O.2 1 UNL1111111111 -0.5596 3 O -0.2676 1.1779 -1.1170 O.3 1 UNL1111111111 -0.4530 4 O 1.1072 3.2020 -1.2619 O.3 1 UNL1111111111 -0.2580 5 O 0.1013 -3.8515 -1.6796 O.3 1 UNL1111111111 -0.5632 6 O -0.4956 2.9623 0.7797 O.2 1 UNL1111111111 -0.3699 7 OXT 0.3670 -5.0673 0.1712 O.2 1 UNL1111111111 -0.4890 8 N 0.6494 -1.6494 -0.1893 N.am 1 UNL1111111111 -0.5693 9 N 1.7661 1.5724 0.5040 N.3 1 UNL1111111111 -0.3746 10 NE1 -2.2914 0.8416 1.8562 N.ar 1 UNL1111111111 -0.3478 11 C 2.2481 0.2513 0.0090 C.3 1 UNL1111111111 0.0346 12 C 3.7025 0.0693 0.4921 C.3 1 UNL1111111111 -0.3058 13 C 4.6709 1.0132 -0.2422 C.3 1 UNL1111111111 -0.0491 14 CA -0.2091 -2.6895 0.3671 C.3 1 UNL1111111111 0.0310 15 CB -1.7147 -2.4125 0.1566 C.3 1 UNL1111111111 -0.2793 16 C 1.4180 -0.8780 0.6572 C.2 0 ACE0 0.5362 17 CG -2.1132 -1.0769 0.6422 C.ar 1 UNL1 -0.1356 18 C 4.8546 0.5879 -1.7036 C.3 1 UNL1 -0.4567 19 C 6.0253 1.0132 0.4781 C.3 1 UNL1 -0.4611 20 CD2 -3.0851 -0.2334 -0.0007 C.ar 1 UNL1 -0.1008 21 CE2 -3.1532 0.9731 0.7670 C.ar 1 UNL1 0.0917 22 CD1 -1.6442 -0.3919 1.7538 C.ar 1 UNL1 -0.0260 23 C 0.1280 -4.0048 -0.3308 C.2 1 UNL1 0.6037 24 CE3 -3.8886 -0.3643 -1.1392 C.ar 1 UNL1 -0.1193 25 CZ2 -3.9843 2.0406 0.3978 C.ar 1 UNL1 -0.1869 26 CZ3 -4.7106 0.6873 -1.4954 C.ar 1 UNL1 -0.1909 27 CH2 -4.7541 1.8789 -0.7366 C.ar 1 UNL1 -0.1234 28 H 2.2230 0.1891 -1.1132 H 1 UNL1 0.1738 29 H 4.0111 -0.9836 0.3472 H 1 UNL1 0.1509 30 H 3.7598 0.2423 1.5861 H 1 UNL1 0.1600 31 H 4.2483 2.0505 -0.2183 H 1 UNL1 0.1582 32 HA 0.0079 -2.8115 1.4725 H 1 UNL1 0.2048 33 HB1 -2.3083 -3.1992 0.6767 H 1 UNL1 0.1691 34 HB2 -1.9705 -2.5159 -0.9227 H 1 UNL1 0.1679 35 H 0.4412 -1.3437 -1.1334 H 1 UNL1 0.3332 36 H 1.7454 1.5843 1.5606 H 1 UNL1 0.3069 37 H 5.2014 -0.4466 -1.7848 H 1 UNL1 0.1397 38 H 5.5912 1.2225 -2.2077 H 1 UNL1 0.1396 39 H 3.9184 0.6771 -2.2668 H 1 UNL1 0.1466 40 H 6.4713 0.0135 0.4989 H 1 UNL1 0.1423 41 H 6.7377 1.6793 -0.0195 H 1 UNL1 0.1401 42 H 5.9278 1.3564 1.5136 H 1 UNL1 0.1433 43 HD1 -0.8997 -0.6899 2.4761 H 1 UNL1 0.1878 44 HE1 -1.9805 1.6071 2.4198 H 1 UNL1 0.3268 45 HE3 -3.8587 -1.2797 -1.7240 H 1 UNL1 0.1504 46 HZ2 -4.0041 2.9560 0.9808 H 1 UNL1 0.1643 47 HZ3 -5.3426 0.6090 -2.3773 H 1 UNL1 0.1499 48 HH2 -5.4128 2.6819 -1.0643 H 1 UNL1 0.1490 49 H -1.2023 0.9477 -0.7695 H 1 UNL1 0.3452 50 H 0.3481 3.6521 -1.8013 H 1 UNL1 0.3080 51 H 0.3304 -4.6736 -2.1779 H 1 UNL1 0.3551 @BOND 1 1 3 1 2 1 4 1 3 1 6 2 4 1 9 1 5 2 16 2 6 3 49 1 7 4 50 1 8 5 23 1 9 5 51 1 10 7 23 2 11 8 14 1 12 8 16 am 13 8 35 1 14 9 11 1 15 9 36 1 16 10 21 ar 17 10 22 ar 18 10 44 1 19 11 12 1 20 11 16 1 21 11 28 1 22 12 13 1 23 12 29 1 24 12 30 1 25 13 18 1 26 13 19 1 27 13 31 1 28 14 15 1 29 14 23 1 30 14 32 1 31 15 17 1 32 15 33 1 33 15 34 1 34 17 20 ar 35 17 22 ar 36 18 37 1 37 18 38 1 38 18 39 1 39 19 40 1 40 19 41 1 41 19 42 1 42 20 21 ar 43 20 24 ar 44 21 25 ar 45 22 43 1 46 24 26 ar 47 24 45 1 48 25 27 ar 49 25 46 1 50 26 27 ar 51 26 47 1 52 27 48 1