@MOLECULE purine, 2-amino-6-(phenethylthio)- 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.3217 1.4877 0.0521 S.3 1 UNL1111 0.0637 2 N -3.6721 1.7885 -0.0481 N.ar 1 UNL1111 -0.3614 3 N -1.2194 -1.0287 0.0798 N.ar 1 UNL1111 -0.5413 4 N -5.1871 0.0878 -0.0608 N.ar 1 UNL1111 -0.4007 5 N -3.5626 -1.7736 0.0212 N.ar 1 UNL1111 -0.4909 6 N -1.7951 -3.2968 0.0955 N.pl3 1 UNL1111 -0.5724 7 C 2.4050 1.4164 -0.2665 C.3 1 UNL1111 -0.2829 8 C 1.2394 0.5233 0.1499 C.3 1 UNL1111 -0.2865 9 C 3.6753 0.6248 -0.1437 C.ar 1 UNL1111 0.0126 10 C -2.9319 0.6043 -0.0053 C.ar 1 UNL1111 -0.2265 11 C -1.5780 0.2552 0.0420 C.ar 1 UNL1111 0.1940 12 C -3.9124 -0.4740 -0.0140 C.ar 1 UNL1111 0.3562 13 C 4.2934 0.4918 1.1016 C.ar 1 UNL1111 -0.1784 14 C 4.2315 0.0086 -1.2656 C.ar 1 UNL1111 -0.1756 15 C -5.0149 1.4193 -0.0801 C.ar 1 UNL1111 0.1833 16 C -2.2158 -1.9971 0.0660 C.ar 1 UNL1111 0.5262 17 C 5.4639 -0.2529 1.2218 C.ar 1 UNL1111 -0.1349 18 C 5.4030 -0.7354 -1.1417 C.ar 1 UNL1111 -0.1351 19 C 6.0207 -0.8665 0.1006 C.ar 1 UNL1111 -0.1610 20 H 2.4655 2.3303 0.3627 H 1 UNL1111 0.1573 21 H 2.2757 1.7861 -1.3067 H 1 UNL1111 0.1605 22 H 1.1738 -0.3750 -0.5002 H 1 UNL1111 0.1865 23 H 1.3707 0.1369 1.1789 H 1 UNL1111 0.1716 24 H -3.2846 2.7051 -0.0523 H 1 UNL1111 0.3294 25 H 3.8595 0.9678 1.9783 H 1 UNL1111 0.1534 26 H 3.7503 0.1054 -2.2366 H 1 UNL1111 0.1543 27 H -5.8210 2.1415 -0.1161 H 1 UNL1111 0.1960 28 H 5.9449 -0.3561 2.1925 H 1 UNL1111 0.1491 29 H 5.8358 -1.2160 -2.0171 H 1 UNL1111 0.1491 30 H 6.9358 -1.4464 0.1960 H 1 UNL1111 0.1498 31 H -2.4685 -4.0374 0.0999 H 1 UNL1111 0.3296 32 H -0.8207 -3.5098 0.1456 H 1 UNL1111 0.3253 @BOND 1 1 8 1 2 1 11 1 3 2 10 ar 4 2 15 ar 5 2 24 1 6 3 11 ar 7 3 16 ar 8 4 12 ar 9 4 15 ar 10 5 12 ar 11 5 16 ar 12 6 16 1 13 6 31 1 14 6 32 1 15 7 8 1 16 7 9 1 17 7 20 1 18 7 21 1 19 8 22 1 20 8 23 1 21 9 13 ar 22 9 14 ar 23 10 11 ar 24 10 12 ar 25 13 17 ar 26 13 25 1 27 14 18 ar 28 14 26 1 29 15 27 1 30 17 19 ar 31 17 28 1 32 18 19 ar 33 18 29 1 34 19 30 1