@MOLECULE (6s)-2-amino-6-[(1s,2r)-1,2,3-trihydroxypropyl]-5,6,7,8-tetrahydro-4(1h)-pteridinone 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.5927 1.9872 -0.4075 O.3 1 UNL1 -0.5235 2 O 3.1750 -0.3560 -1.8924 O.3 1 UNL1 -0.5287 3 O 4.3896 -1.8524 0.1631 O.3 1 UNL1 -0.5476 4 O -1.3995 -2.6071 0.6102 O.2 1 UNL1 -0.4431 5 N 0.1383 -0.3334 1.1622 N.pl3 1 UNL1 -0.4693 6 N -0.9293 2.1348 0.1383 N.pl3 1 UNL1 -0.5060 7 N -3.0050 1.0103 -0.3060 N.ar 1 UNL1 -0.5501 8 N -3.2006 -1.3877 -0.0778 N.ar 1 UNL1 -0.6073 9 N -4.9382 -0.1559 -1.0489 N.pl3 1 UNL1 -0.6046 10 C 1.0327 0.8093 0.9539 C.3 1 UNL1 -0.0057 11 C 1.8274 0.8075 -0.3850 C.3 1 UNL1 0.0717 12 C 0.2275 2.1334 1.0613 C.3 1 UNL1 -0.0990 13 C 2.6819 -0.4596 -0.5732 C.3 1 UNL1 0.0720 14 C -1.1085 -0.2591 0.5097 C.ar 1 UNL1 -0.1659 15 C -1.6689 0.9398 0.1515 C.ar 1 UNL1 0.2810 16 C 3.8670 -0.5559 0.4081 C.3 1 UNL1 -0.0709 17 C -1.8701 -1.5231 0.3630 C.ar 1 UNL1 0.6033 18 C -3.6823 -0.2241 -0.4457 C.ar 1 UNL1 0.5680 19 H 1.7655 0.7864 1.8048 H 1 UNL1 0.1460 20 H 1.1440 0.9462 -1.2603 H 1 UNL1 0.1882 21 H -0.0923 2.2752 2.1183 H 1 UNL1 0.1367 22 H 0.8810 2.9936 0.7775 H 1 UNL1 0.1732 23 H 2.0573 -1.3852 -0.5160 H 1 UNL1 0.1509 24 H 0.5868 -1.2467 1.0547 H 1 UNL1 0.3051 25 H -1.4607 2.9981 0.1663 H 1 UNL1 0.2871 26 H 3.5509 -0.4870 1.4614 H 1 UNL1 0.1235 27 H 4.6443 0.1970 0.1840 H 1 UNL1 0.1253 28 H 3.4155 1.8977 0.1101 H 1 UNL1 0.3020 29 H -3.2862 1.8134 -0.8558 H 1 UNL1 0.3213 30 H 3.8208 -1.0801 -2.0557 H 1 UNL1 0.3285 31 H 5.1985 -2.0100 0.6877 H 1 UNL1 0.3200 32 H -5.4984 -0.9988 -0.9711 H 1 UNL1 0.3245 33 H -5.4635 0.6954 -0.9868 H 1 UNL1 0.2935 @BOND 1 30 2 1 2 2 13 1 3 20 11 1 4 9 33 1 5 9 32 1 6 9 18 1 7 29 7 1 8 13 23 1 9 13 11 1 10 13 16 1 11 18 7 ar 12 18 8 ar 13 1 11 1 14 1 28 1 15 11 10 1 16 7 15 ar 17 8 17 ar 18 6 15 1 19 6 25 1 20 6 12 1 21 15 14 ar 22 3 16 1 23 3 31 1 24 27 16 1 25 17 14 ar 26 17 4 2 27 16 26 1 28 14 5 1 29 22 12 1 30 10 12 1 31 10 5 1 32 10 19 1 33 24 5 1 34 12 21 1