@MOLECULE (2r)-2-[(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)methoxy]-3-hydroxypropyl l-valinate 47 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8866 -0.8941 0.7143 O.3 1 UNL1 -0.4180 2 O -3.0365 -1.6586 -0.6107 O.3 1 UNL1 -0.4309 3 O 1.0250 -2.1962 -1.6372 O.3 1 UNL1 -0.5455 4 O -3.5795 -0.8172 1.4154 O.2 1 UNL1 -0.5049 5 O 4.3930 2.5492 -0.8893 O.2 1 UNL1 -0.3624 6 N 0.9570 0.3368 1.3256 N.ar 1 UNL1 -0.3730 7 N -5.3554 0.9390 -0.1338 N.3 1 UNL1 -0.6231 8 N 2.9818 -0.9944 0.6709 N.ar 1 UNL1 -0.5539 9 N 1.6143 2.3321 0.4523 N.ar 1 UNL1 -0.2710 10 N 4.6603 0.3332 -0.4580 N.ar 1 UNL1 -0.6126 11 N 4.9489 -1.9798 -0.2047 N.pl3 1 UNL1 -0.6082 12 C -2.9637 1.5509 -0.6330 C.3 1 UNL1 -0.0620 13 C -4.0681 0.4522 -0.6312 C.3 1 UNL1 -0.0217 14 C -0.7622 -2.0989 -0.0339 C.3 1 UNL1 0.0296 15 C -2.2005 -2.6516 -0.0382 C.3 1 UNL1 -0.0481 16 C -2.9501 2.3736 0.6573 C.3 1 UNL1 -0.4590 17 C -3.1661 2.4670 -1.8415 C.3 1 UNL1 -0.4449 18 C -3.5408 -0.7048 0.2210 C.2 1 UNL1 0.5551 19 C 0.0008 -0.6679 1.7693 C.3 1 UNL1 0.1568 20 C -0.2870 -1.7180 -1.4460 C.3 1 UNL1 -0.0291 21 C 2.2022 0.1461 0.7379 C.ar 1 UNL1 0.2130 22 C 2.6108 1.3978 0.2221 C.ar 1 UNL1 -0.1624 23 C 0.6283 1.7027 1.0835 C.ar 1 UNL1 0.1000 24 C 3.9167 1.5523 -0.4245 C.ar 1 UNL1 0.6139 25 C 4.2289 -0.8051 0.0031 C.ar 1 UNL1 0.5794 26 H -1.9745 1.0322 -0.7358 H 1 UNL1 0.1426 27 H -4.2220 0.0953 -1.6886 H 1 UNL1 0.1763 28 H -0.0637 -2.8210 0.4368 H 1 UNL1 0.1376 29 H -2.5424 -2.9152 0.9797 H 1 UNL1 0.1559 30 H -2.3176 -3.5166 -0.7159 H 1 UNL1 0.1549 31 H -2.0794 3.0403 0.6860 H 1 UNL1 0.1511 32 H -2.9228 1.7333 1.5466 H 1 UNL1 0.1485 33 H -3.8369 3.0167 0.7334 H 1 UNL1 0.1584 34 H -2.4467 3.2946 -1.8357 H 1 UNL1 0.1532 35 H -4.1747 2.9024 -1.8401 H 1 UNL1 0.1614 36 H -3.0409 1.9291 -2.7869 H 1 UNL1 0.1419 37 H -0.6536 -0.2276 2.5665 H 1 UNL1 0.1768 38 H 0.5084 -1.5816 2.1337 H 1 UNL1 0.1293 39 H -0.8619 -2.2382 -2.2369 H 1 UNL1 0.1619 40 H -0.3426 -0.6281 -1.6180 H 1 UNL1 0.1453 41 H -6.0717 0.2309 -0.1671 H 1 UNL1 0.2558 42 H -5.2946 1.3057 0.8046 H 1 UNL1 0.2648 43 H -0.3083 2.1259 1.4096 H 1 UNL1 0.2012 44 H 2.6564 -1.8908 0.9863 H 1 UNL1 0.3261 45 H 1.6811 -1.6026 -1.2288 H 1 UNL1 0.3148 46 H 5.8320 -1.8634 -0.6914 H 1 UNL1 0.3284 47 H 4.9630 -2.6770 0.5137 H 1 UNL1 0.2965 @BOND 1 36 17 1 2 39 20 1 3 17 35 1 4 17 34 1 5 17 12 1 6 27 13 1 7 3 20 1 8 3 45 1 9 40 20 1 10 20 14 1 11 5 24 2 12 26 12 1 13 30 15 1 14 46 11 1 15 12 13 1 16 12 16 1 17 13 7 1 18 13 18 1 19 2 15 1 20 2 18 1 21 10 24 ar 22 10 25 ar 23 24 22 ar 24 11 25 1 25 11 47 1 26 41 7 1 27 7 42 1 28 15 14 1 29 15 29 1 30 14 28 1 31 14 1 1 32 25 8 ar 33 18 4 2 34 22 9 ar 35 22 21 ar 36 9 23 ar 37 16 31 1 38 16 33 1 39 16 32 1 40 8 21 ar 41 8 44 1 42 1 19 1 43 21 6 ar 44 23 6 ar 45 23 43 1 46 6 19 1 47 19 38 1 48 19 37 1