@MOLECULE 2-[[(2S)-2-aminopropyl]-[2-(6-aminopurin-9-yl)acetyl]amino]acetic acid 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.4239 -2.0142 0.3466 C.2 1 UNL1111 0.6001 2 N 4.4605 1.2159 0.8516 N.ar 1 UNL1111 -0.5725 3 C 3.3082 1.4229 1.5367 C.ar 1 UNL1111 0.3020 4 N 2.1488 0.7460 1.3940 N.ar 1 UNL1111 -0.5144 5 C 2.1929 -0.2274 0.4507 C.ar 1 UNL1111 0.3009 6 C 3.3478 -0.5423 -0.3447 C.ar 1 UNL1111 -0.1985 7 C 4.5133 0.2284 -0.0936 C.ar 1 UNL1111 0.4680 8 N 5.6931 0.0217 -0.7367 N.pl3 1 UNL1111 -0.5557 9 N 3.0371 -1.5802 -1.2233 N.ar 1 UNL1111 -0.3300 10 C 1.7682 -1.9017 -0.9973 C.ar 1 UNL1111 0.1431 11 N 1.2168 -1.1385 0.0710 N.ar 1 UNL1111 -0.3137 12 N -1.9503 2.9661 0.5240 N.3 1 UNL1111 -0.6477 13 O -3.1504 -2.5619 -0.6833 O.2 1 UNL1111 -0.4665 14 C -3.1962 2.4337 -0.0696 C.3 1 UNL1111 0.0623 15 C -3.8473 3.4786 -0.9847 C.3 1 UNL1111 -0.4859 16 C -2.9908 1.1278 -0.9010 C.3 1 UNL1111 -0.1229 17 N -2.2815 0.0969 -0.1352 N.am 1 UNL1111 -0.4897 18 C -3.0322 -0.6400 0.8611 C.3 1 UNL1111 -0.1308 19 C -0.9251 -0.0611 -0.3550 C.2 1 UNL1111 0.5511 20 O -0.3659 0.6262 -1.1810 O.2 1 UNL1111 -0.4884 21 C -0.1675 -1.1016 0.4778 C.3 1 UNL1111 -0.1503 22 H 3.3254 2.2302 2.2897 H 1 UNL1111 0.2001 23 H 1.1899 -2.6486 -1.5170 H 1 UNL1111 0.1996 24 H -1.2035 2.2864 0.5216 H 1 UNL1111 0.2652 25 H -3.8731 2.2059 0.7959 H 1 UNL1111 0.1369 26 H -3.9704 0.7326 -1.2420 H 1 UNL1111 0.1429 27 H -2.4053 1.3543 -1.8273 H 1 UNL1111 0.1831 28 H -3.9610 -0.0806 1.1511 H 1 UNL1111 0.1910 29 H -2.4632 -0.7467 1.8192 H 1 UNL1111 0.1841 30 H 5.7547 -0.6775 -1.4515 H 1 UNL1111 0.3273 31 H 6.4919 0.5936 -0.5404 H 1 UNL1111 0.3229 32 H -0.6227 -2.1143 0.3534 H 1 UNL1111 0.1825 33 H -0.2202 -0.8233 1.5652 H 1 UNL1111 0.1956 34 H -4.0005 4.4305 -0.4560 H 1 UNL1111 0.1626 35 H -3.2266 3.6967 -1.8614 H 1 UNL1111 0.1557 36 H -4.8265 3.1460 -1.3420 H 1 UNL1111 0.1500 37 O -4.1680 -2.6267 1.3057 O.3 1 UNL1111 -0.5742 38 H -1.6132 3.7818 0.0390 H 1 UNL1111 0.2522 39 H -4.4430 -3.5474 1.0790 H 1 UNL1111 0.3623 @BOND 1 1 13 2 2 1 18 1 3 1 37 1 4 2 3 ar 5 2 7 ar 6 3 4 ar 7 4 5 ar 8 5 11 ar 9 6 5 ar 10 6 9 ar 11 7 6 ar 12 8 7 1 13 8 31 1 14 9 10 ar 15 10 23 1 16 11 10 ar 17 11 21 1 18 12 38 1 19 14 12 1 20 14 25 1 21 14 15 1 22 15 35 1 23 16 14 1 24 17 16 1 25 17 18 1 26 18 28 1 27 18 29 1 28 19 17 am 29 20 19 2 30 21 19 1 31 21 32 1 32 22 3 1 33 24 12 1 34 26 16 1 35 27 16 1 36 30 8 1 37 33 21 1 38 34 15 1 39 36 15 1 40 37 39 1