@MOLECULE l-tyrosyl-l-prolyl-l-tryptophylglycinamide 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1194 -0.7020 0.1721 O.2 1 UNL1111111111 -0.4113 2 O 2.3777 -0.7130 -2.4602 O.2 1 UNL1111111111 -0.3939 3 O -4.3303 0.5702 -1.9615 O.2 1 UNL1111111111 -0.4091 4 O 0.8992 -0.4678 4.5632 O.3 1 UNL1111111111 -0.3581 5 O -5.2884 -1.4509 1.8894 O.2 1 UNL1111111111 -0.3521 6 N 1.5188 -2.4063 -1.2639 N.am 1 UNL1111111111 -0.0298 7 N -1.6056 -0.4349 -1.5136 N.am 1 UNL1111111111 -0.8524 8 N 4.9791 -1.7903 -1.9008 N.3 1 UNL1111111111 -1.0322 9 N 1.8820 2.1362 -1.8101 N.ar 1 UNL1111111111 -0.5868 10 N -4.3300 0.5535 0.3058 N.am 1 UNL1111111111 -0.6526 11 N -7.3280 -1.4845 0.9354 N.am 1 UNL1111111111 -1.0552 12 C 0.1486 -2.1719 -1.7353 C.3 1 UNL1111111111 -0.1728 13 C -0.5913 -3.4865 -1.4082 C.3 1 UNL1111111111 -0.4838 14 C 0.1296 -4.0403 -0.1644 C.3 1 UNL1111111111 -0.3530 15 C 1.5078 -3.3409 -0.1213 C.3 1 UNL1111111111 -0.4242 16 C -0.5027 -1.0318 -0.9271 C.2 1 UNL1111111111 0.7160 17 C 2.5393 -1.5445 -1.5805 C.2 1 UNL1111111111 -0.0177 18 C 3.9060 -1.7092 -0.8958 C.3 1 UNL1111111111 0.4253 19 C -2.1772 0.7567 -0.8874 C.3 1 UNL1111111111 0.0353 20 C 4.1511 -0.4593 -0.0131 C.3 1 UNL1111111111 -0.7987 21 C -1.8210 2.0427 -1.6728 C.3 1 UNL1111111111 -0.7418 22 C -0.3736 2.2852 -1.5430 C.ar 1 UNL1111111111 -0.0430 23 C -3.7019 0.5892 -0.9239 C.2 1 UNL1111111111 0.4550 24 C 3.2904 -0.4990 1.2087 C.ar 1 UNL1111111111 0.1617 25 C 0.2439 3.1240 -0.5544 C.ar 1 UNL1111111111 0.0110 26 C 0.6436 1.6838 -2.2697 C.ar 1 UNL1111111111 -0.1183 27 C 1.6595 2.9973 -0.7326 C.ar 1 UNL1111111111 0.2835 28 C 2.0744 0.1964 1.2312 C.ar 1 UNL1111111111 -0.1357 29 C 3.7028 -1.2153 2.3308 C.ar 1 UNL1111111111 -0.2249 30 C -0.2528 3.9266 0.4761 C.ar 1 UNL1111111111 -0.2143 31 C 2.5666 3.6660 0.0995 C.ar 1 UNL1111111111 -0.4160 32 C -5.7730 0.3475 0.3590 C.3 1 UNL1111111111 -0.3260 33 C 0.6475 4.5682 1.3060 C.ar 1 UNL1111111111 -0.2994 34 C 1.2768 0.1897 2.3649 C.ar 1 UNL1111111111 -0.2157 35 C 2.9196 -1.2411 3.4842 C.ar 1 UNL1111111111 -0.4259 36 C 2.0398 4.4431 1.1145 C.ar 1 UNL1111111111 -0.1092 37 C 1.7223 -0.5260 3.4812 C.ar 1 UNL1111111111 0.1338 38 C -6.0766 -0.9366 1.1240 C.2 1 UNL1111111111 0.5395 39 H 0.1650 -1.9329 -2.8264 H 1 UNL1111111111 0.1917 40 H -0.5171 -4.1918 -2.2538 H 1 UNL1111111111 0.2326 41 H -1.6661 -3.3267 -1.2210 H 1 UNL1111111111 0.2198 42 H -0.4452 -3.8107 0.7518 H 1 UNL1111111111 0.2149 43 H 0.2311 -5.1353 -0.2111 H 1 UNL1111111111 0.2153 44 H 2.3365 -4.0661 -0.2253 H 1 UNL1111111111 0.2255 45 H 1.6437 -2.7871 0.8372 H 1 UNL1111111111 0.2807 46 H 3.9319 -2.6114 -0.2354 H 1 UNL1111111111 0.1158 47 H -1.8798 -0.6168 -2.4664 H 1 UNL1111111111 0.4503 48 H -1.7911 0.8535 0.1673 H 1 UNL1111111111 0.2502 49 H -2.4084 2.9011 -1.2839 H 1 UNL1111111111 0.2828 50 H -2.1377 1.9417 -2.7324 H 1 UNL1111111111 0.2775 51 H 5.2291 -0.4209 0.2576 H 1 UNL1111111111 0.2848 52 H 3.9896 0.4618 -0.6045 H 1 UNL1111111111 0.2749 53 H 5.4209 -2.6890 -1.9092 H 1 UNL1111111111 0.3899 54 H 4.6960 -1.4866 -2.8165 H 1 UNL1111111111 0.4114 55 H 0.5925 0.9605 -3.0671 H 1 UNL1111111111 0.2683 56 H 2.7525 1.7055 -2.0454 H 1 UNL1111111111 0.4811 57 H -3.8194 0.3255 1.1557 H 1 UNL1111111111 0.4265 58 H 1.7367 0.7424 0.3473 H 1 UNL1111111111 0.1284 59 H 4.6503 -1.7488 2.3150 H 1 UNL1111111111 0.2227 60 H -1.3242 4.0302 0.6172 H 1 UNL1111111111 0.2134 61 H 3.6355 3.5629 -0.0439 H 1 UNL1111111111 0.2380 62 H -6.2075 0.3241 -0.6730 H 1 UNL1111111111 0.2282 63 H -6.2459 1.2148 0.8815 H 1 UNL1111111111 0.2143 64 H 0.2855 5.1809 2.1275 H 1 UNL1111111111 0.2046 65 H 2.7046 4.9784 1.7892 H 1 UNL1111111111 0.1828 66 H 0.3205 0.7082 2.3873 H 1 UNL1111111111 0.2591 67 H 3.2419 -1.7968 4.3547 H 1 UNL1111111111 0.2497 68 H 1.2434 -0.9878 5.3237 H 1 UNL1111111111 0.3435 69 H -7.9875 -1.1324 0.2802 H 1 UNL1111111111 0.4590 70 H -7.5814 -2.3192 1.4275 H 1 UNL1111111111 0.4548 @BOND 1 1 16 2 2 2 17 2 3 3 23 2 4 4 37 1 5 4 68 1 6 5 38 2 7 6 12 1 8 6 15 1 9 6 17 am 10 7 16 am 11 7 19 1 12 7 47 1 13 8 18 1 14 8 53 1 15 8 54 1 16 9 26 ar 17 9 27 ar 18 9 56 1 19 10 23 am 20 10 32 1 21 10 57 1 22 11 38 am 23 11 69 1 24 11 70 1 25 12 13 1 26 12 16 1 27 12 39 1 28 13 14 1 29 13 40 1 30 13 41 1 31 14 15 1 32 14 42 1 33 14 43 1 34 15 44 1 35 15 45 1 36 17 18 1 37 18 20 1 38 18 46 1 39 19 21 1 40 19 23 1 41 19 48 1 42 20 24 1 43 20 51 1 44 20 52 1 45 21 22 1 46 21 49 1 47 21 50 1 48 22 25 ar 49 22 26 ar 50 24 28 ar 51 24 29 ar 52 25 27 ar 53 25 30 ar 54 26 55 1 55 27 31 ar 56 28 34 ar 57 28 58 1 58 29 35 ar 59 29 59 1 60 30 33 ar 61 30 60 1 62 31 36 ar 63 31 61 1 64 32 38 1 65 32 62 1 66 32 63 1 67 33 36 ar 68 33 64 1 69 34 37 ar 70 34 66 1 71 35 37 ar 72 35 67 1 73 36 65 1