@MOLECULE [(1s,3s,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]-l-methionine 26 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.9116 -0.2740 -2.3648 C.1 1 UNL1 0.1985 2 N -5.4050 -0.6651 -3.3403 N.1 1 UNL1 -0.1681 3 C -6.6999 -1.1764 0.1705 C.1 1 UNL1 0.0556 4 C -5.6198 -0.4675 0.7478 C.ar 1 UNL1 0.1726 5 C -4.4818 0.1503 -0.1026 C.ar 1 UNL1 0.2842 6 N -4.2014 0.2532 -1.3427 N.pl3 1 UNL1 -0.3068 7 N -3.6669 0.7478 0.9279 N.ar 1 UNL1 -0.4422 8 C -4.1743 0.5446 2.2055 C.ar 1 UNL1 0.5090 9 N -5.4213 -0.2215 1.9989 N.ar 1 UNL1 -0.4273 10 C -2.3634 1.2241 0.6345 C.2 1 UNL1 -0.1084 11 C -1.2786 0.3646 0.6423 C.1 1 UNL1 -0.1044 12 C -0.3539 -0.4441 0.6499 C.1 1 UNL1 0.0299 13 C 1.4669 2.2133 -0.6703 C.2 1 UNL1 0.4375 14 C -2.2081 2.5218 0.2946 C.1 1 UNL1 0.5218 15 O -2.0456 3.6279 0.0270 O.2 1 UNL1 -0.1433 16 O 2.4289 1.6046 -0.7097 O.2 1 UNL1 -0.4378 17 C 0.6489 -1.3190 0.6388 C.3 1 UNL1 -0.3517 18 S 1.7861 -2.2363 0.5923 S.3 1 UNL1 0.6465 19 C 3.2786 -1.5872 0.1525 C.1 1 UNL1 -0.1874 20 C 4.3777 -1.1774 -0.1626 C.1 1 UNL1 -0.0486 21 C 5.6200 -0.7115 -0.5122 C.1 1 UNL1 0.1654 22 C 9.3420 0.3875 0.0801 C.1 2 UNL2 0.6721 23 O 9.9682 0.1280 -0.8710 O.2 2 UNL2 -0.3315 24 O 8.7584 0.6528 1.0575 O.2 2 UNL2 -0.3413 25 N 6.6710 -0.3180 -0.8025 N.1 1 UNL1 -0.2055 26 N -7.5840 -1.7602 -0.2916 N.1 1 UNL1 -0.0887 @BOND 1 2 1 3 2 1 6 1 3 6 5 1 4 23 22 2 5 25 21 3 6 16 13 2 7 21 20 1 8 26 3 3 9 20 19 3 10 5 4 ar 11 5 7 ar 12 15 14 2 13 22 24 2 14 19 18 1 15 3 4 1 16 14 10 2 17 18 17 1 18 10 11 1 19 10 7 1 20 17 12 1 21 11 12 3 22 4 9 ar 23 7 8 ar 24 9 8 ar