@MOLECULE l-phenylalanyl-l-tryptophan 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4483 0.2023 1.9452 O.2 1 PHE1111111111 -0.5155 2 O 1.8722 -2.1243 -1.1768 O.3 2 TRP2222222222 -0.5523 3 OXT 1.0878 -3.9098 -0.0974 O.2 2 TRP2222222222 -0.5040 4 N 0.2221 -0.4091 -0.2152 N.am 2 TRP2222222222 -0.5911 5 NE1 -4.2160 -0.6791 1.3835 N.ar 2 TRP2222222222 -0.3705 6 N -0.2484 2.8801 0.7771 N.3 1 PHE1111111111 -0.6429 7 CB -1.4279 -2.2473 -0.4937 C.3 2 TRP2222222222 -0.2702 8 CA -0.0885 -1.7859 0.1377 C.3 2 TRP2222222222 0.0398 9 CG -2.5368 -1.4422 0.0519 C.ar 2 TRP2222222222 -0.1071 10 CD2 -3.0387 -0.2232 -0.5204 C.ar 2 TRP2222222222 -0.0714 11 CA 0.7823 1.9441 0.2880 C.3 1 PHE1111111111 0.0023 12 CE2 -4.0947 0.2297 0.3340 C.ar 2 TRP2222222222 0.0955 13 CD1 -3.2640 -1.6870 1.2065 C.ar 2 TRP2222222222 -0.0272 14 CB 2.1358 2.3711 0.9008 C.3 1 PHE1111111111 -0.2927 15 C 0.4836 0.5182 0.7763 C.2 1 PHE1111111111 0.5537 16 C 0.9932 -2.7396 -0.3510 C.2 2 TRP2222222222 0.5988 17 CE3 -2.7002 0.5295 -1.6490 C.ar 2 TRP2222222222 -0.1152 18 CG 3.2368 1.5082 0.3758 C.ar 1 PHE1111111111 -0.0022 19 CZ2 -4.8210 1.3960 0.0593 C.ar 2 TRP2222222222 -0.2107 20 CZ3 -3.4074 1.6880 -1.9075 C.ar 2 TRP2222222222 -0.2021 21 CH2 -4.4599 2.1111 -1.0661 C.ar 2 TRP2222222222 -0.1176 22 CD1 3.6595 0.3955 1.1058 C.ar 1 PHE1111111111 -0.1601 23 CD2 3.8398 1.8055 -0.8480 C.ar 1 PHE1111111111 -0.1784 24 CE1 4.6932 -0.4032 0.6240 C.ar 1 PHE1111111111 -0.1380 25 CE2 4.8736 1.0049 -1.3280 C.ar 1 PHE1111111111 -0.1407 26 CZ 5.3062 -0.0954 -0.5896 C.ar 1 PHE1111111111 -0.1635 27 HB1 -1.3888 -2.1635 -1.6003 H 2 TRP2222222222 0.1604 28 HB2 -1.5783 -3.3313 -0.2855 H 2 TRP2222222222 0.1729 29 HA -0.1582 -1.8816 1.2671 H 2 TRP2222222222 0.2111 30 HA 0.8594 1.9774 -0.8280 H 1 PHE1111111111 0.1337 31 H 0.3401 -0.2041 -1.1935 H 2 TRP2222222222 0.3201 32 HD1 -3.1731 -2.4926 1.9120 H 2 TRP2222222222 0.1719 33 HB1 2.0635 2.3225 2.0111 H 1 PHE1111111111 0.1838 34 HB2 2.3144 3.4435 0.6824 H 1 PHE1111111111 0.1651 35 HE1 -4.8521 -0.6059 2.1423 H 2 TRP2222222222 0.3153 36 HE3 -1.9047 0.1931 -2.3081 H 2 TRP2222222222 0.1493 37 HZ2 -5.6327 1.7177 0.7025 H 2 TRP2222222222 0.1599 38 HZ3 -3.1672 2.2893 -2.7814 H 2 TRP2222222222 0.1517 39 H1 -0.6101 3.4645 0.0444 H 1 PHE1111111111 0.2551 40 H2 -1.0055 2.4221 1.2550 H 1 PHE1111111111 0.2702 41 HH2 -4.9955 3.0235 -1.3257 H 2 TRP2222222222 0.1513 42 HD1 3.1708 0.1482 2.0502 H 1 PHE1111111111 0.1685 43 HD2 3.5068 2.6651 -1.4243 H 1 PHE1111111111 0.1474 44 HE1 5.0237 -1.2667 1.1983 H 1 PHE1111111111 0.1490 45 HE2 5.3469 1.2407 -2.2784 H 1 PHE1111111111 0.1438 46 H 2.6054 -2.7081 -1.4935 H 2 TRP2222222222 0.3573 47 HZ 6.1237 -0.7108 -0.9565 H 1 PHE1111111111 0.1456 @BOND 1 1 15 2 2 2 16 1 3 2 46 1 4 3 16 2 5 4 8 1 6 4 15 am 7 4 31 1 8 5 12 ar 9 5 13 ar 10 5 35 1 11 6 11 1 12 6 39 1 13 6 40 1 14 7 8 1 15 7 9 1 16 7 27 1 17 7 28 1 18 8 16 1 19 8 29 1 20 9 10 ar 21 9 13 ar 22 10 12 ar 23 10 17 ar 24 11 14 1 25 11 15 1 26 11 30 1 27 12 19 ar 28 13 32 1 29 14 18 1 30 14 33 1 31 14 34 1 32 17 20 ar 33 17 36 1 34 18 22 ar 35 18 23 ar 36 19 21 ar 37 19 37 1 38 20 21 ar 39 20 38 1 40 21 41 1 41 22 24 ar 42 22 42 1 43 23 25 ar 44 23 43 1 45 24 26 ar 46 24 44 1 47 25 26 ar 48 25 45 1 49 26 47 1