@MOLECULE 2-amino-7-{2-[(1,3-dihydroxy-2-propanyl)amino]ethyl}-3,7-dihydro-6h-purin-6-one 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 OG -5.2299 -0.4169 1.4011 O.3 1 SER1 -0.5572 2 O -2.5769 2.4512 -0.7272 O.3 1 SER1 -0.5665 3 O 0.1721 1.4199 -0.2593 O.2 0 UNK0 -0.5016 4 N 0.8087 -1.6157 -0.4575 N.ar 0 UNK0 -0.1831 5 N -2.8347 -1.0621 -0.0225 N.3 1 SER1 -0.5640 6 N 2.9115 -2.3486 -0.0303 N.ar 0 UNK0 -0.4251 7 N 3.9226 -0.1249 0.4074 N.ar 0 UNK0 -0.4933 8 N 2.3863 1.7387 0.1849 N.ar 0 UNK0 -0.6206 9 N 4.6676 2.1217 0.5112 N.pl3 0 UNK0 -0.6015 10 C -0.6072 -1.5978 -0.7894 C.3 0 UNK0 -0.0966 11 C -1.4582 -1.2550 0.4667 C.3 0 UNK0 -0.1189 12 CA -3.3185 0.3313 0.1204 C.3 1 SER1 -0.0341 13 C 1.5703 -0.4902 -0.1747 C.ar 0 UNK0 -0.2594 14 CB -4.8555 0.3110 0.2479 C.3 1 SER1 -0.0298 15 C -2.9101 1.1435 -1.1344 C.3 1 SER1 0.0003 16 C 2.8780 -0.9762 0.0815 C.ar 0 UNK0 0.2602 17 C 1.6402 -2.7148 -0.3532 C.ar 0 UNK0 0.1137 18 C 1.2693 0.9361 -0.1076 C.ar 0 UNK0 0.6537 19 C 3.5967 1.2460 0.3694 C.ar 0 UNK0 0.5850 20 H -0.7925 -0.8254 -1.5801 H 0 UNK0 0.1854 21 H -0.9191 -2.5762 -1.2144 H 0 UNK0 0.1598 22 HA -2.8847 0.8383 1.0221 H 1 SER1 0.1425 23 H -1.3937 -2.0755 1.2084 H 0 UNK0 0.1310 24 H -1.0408 -0.3448 0.9563 H 0 UNK0 0.1608 25 H -3.4859 -1.7115 0.4217 H 1 SER1 0.2816 26 HB1 -5.3371 -0.2580 -0.5699 H 1 SER1 0.1506 27 HB2 -5.2722 1.3320 0.2878 H 1 SER1 0.1326 28 H1 -2.0617 0.6789 -1.6666 H 1 SER1 0.1324 29 H2 -3.7445 1.2843 -1.8419 H 1 SER1 0.1329 30 H 1.3268 -3.7356 -0.5101 H 0 UNK0 0.1999 31 H 4.8691 -0.4780 0.4381 H 0 UNK0 0.3399 32 H -4.9899 0.0680 2.2131 H 1 SER1 0.3140 33 H -1.6335 2.4787 -0.4420 H 1 SER1 0.3471 34 H 5.4383 1.8632 1.0963 H 0 UNK0 0.3006 35 H 4.4278 3.1068 0.5333 H 0 UNK0 0.3278 @BOND 1 29 15 1 2 28 15 1 3 20 10 1 4 21 10 1 5 15 2 1 6 15 12 1 7 10 4 1 8 10 11 1 9 2 33 1 10 26 14 1 11 30 17 1 12 4 17 ar 13 4 13 ar 14 17 6 ar 15 3 18 2 16 13 18 ar 17 13 16 ar 18 18 8 ar 19 6 16 ar 20 5 12 1 21 5 25 1 22 5 11 1 23 16 7 ar 24 12 14 1 25 12 22 1 26 8 19 ar 27 14 27 1 28 14 1 1 29 19 7 ar 30 19 9 1 31 7 31 1 32 11 24 1 33 11 23 1 34 9 35 1 35 9 34 1 36 1 32 1