@MOLECULE (6r)-2-amino-6-[(2s)-2-hydroxypropanoyl]-5,6,7,8-tetrahydro-4(1h)-pteridinone 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7025 -0.5507 1.2707 O.2 1 UNL1 -0.3753 2 O 4.3653 -0.3583 1.2634 O.3 1 UNL1 -0.5260 3 O -1.4619 2.6575 -0.2324 O.2 1 UNL1 -0.4511 4 N 0.3619 0.7318 -1.1542 N.pl3 1 UNL1 -0.4455 5 N -0.3091 -1.9871 -0.4605 N.pl3 1 UNL1 -0.5064 6 N -2.4674 -1.2304 0.2499 N.ar 1 UNL1 -0.5468 7 N -3.0316 1.1044 0.3367 N.ar 1 UNL1 -0.6019 8 N -4.6505 -0.5315 0.8346 N.pl3 1 UNL1 -0.6107 9 C 1.4168 -0.2888 -1.1061 C.3 1 UNL1 -0.0618 10 C 0.8068 -1.6905 -1.3798 C.3 1 UNL1 -0.0857 11 C -0.8379 0.3885 -0.4851 C.ar 1 UNL1 -0.1874 12 C -1.1962 -0.9202 -0.2672 C.ar 1 UNL1 0.3256 13 C 2.2006 -0.3064 0.2092 C.2 1 UNL1 0.3424 14 C 3.6784 0.0740 0.1202 C.3 1 UNL1 0.0689 15 C -1.7625 1.4915 -0.1432 C.ar 1 UNL1 0.6063 16 C 3.7688 1.5911 -0.0272 C.3 1 UNL1 -0.4947 17 C -3.3465 -0.1583 0.4913 C.ar 1 UNL1 0.5721 18 H 2.1136 -0.0447 -1.9586 H 1 UNL1 0.1635 19 H 0.4730 -1.7200 -2.4451 H 1 UNL1 0.1461 20 H 1.5803 -2.4786 -1.2353 H 1 UNL1 0.1546 21 H 0.6842 1.6718 -0.9072 H 1 UNL1 0.3020 22 H -0.7038 -2.9114 -0.5755 H 1 UNL1 0.2923 23 H 4.2059 -0.4705 -0.6946 H 1 UNL1 0.1532 24 H -2.7176 -2.1858 0.4497 H 1 UNL1 0.3238 25 H 3.1712 2.1150 0.7301 H 1 UNL1 0.1652 26 H 3.4385 1.9316 -1.0152 H 1 UNL1 0.1566 27 H 4.8057 1.9277 0.1082 H 1 UNL1 0.1727 28 H 3.8710 -0.1140 2.0815 H 1 UNL1 0.3316 29 H -5.2914 0.2420 0.9785 H 1 UNL1 0.3229 30 H -4.7782 -1.2931 1.4733 H 1 UNL1 0.2934 @BOND 1 19 10 1 2 18 9 1 3 10 20 1 4 10 9 1 5 10 5 1 6 4 9 1 7 4 21 1 8 4 11 1 9 9 13 1 10 26 16 1 11 23 14 1 12 22 5 1 13 11 12 ar 14 11 15 ar 15 5 12 1 16 12 6 ar 17 3 15 2 18 15 7 ar 19 16 27 1 20 16 14 1 21 16 25 1 22 14 13 1 23 14 2 1 24 13 1 2 25 6 24 1 26 6 17 ar 27 7 17 ar 28 17 8 1 29 8 29 1 30 8 30 1 31 2 28 1