@MOLECULE [(5ar,8r,9ar)-2-amino-4-oxo-6,7-dithioxo-1,5,5a,6,7,8,9a,10-octahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.7937 -2.2934 -1.2018 O.3 1 UNL1 -0.3635 2 P 4.0280 -1.5462 0.1932 P.3 1 UNL1 0.3574 3 O 3.8380 -2.3008 1.4127 O.2 1 UNL1 -0.2125 4 O 5.5047 -0.9960 0.0241 O.3 1 UNL1 -0.2677 5 O 3.1604 -0.2185 -0.0967 O.3 1 UNL1 -0.3874 6 C 2.1465 0.2747 0.7908 C.3 1 UNL1 0.0083 7 C 1.2522 1.0628 -0.1961 C.3 1 UNL1 0.0742 8 C 0.4328 2.1870 0.3996 C.2 1 UNL1 -0.0918 9 S 0.5744 2.7747 1.8651 S.2 1 UNL1 0.0221 10 O 0.3777 0.0619 -0.6895 O.3 1 UNL1 -0.4476 11 C -0.5566 0.4818 -1.6687 C.3 1 UNL1 0.2253 12 C -1.4791 1.6065 -1.1006 C.3 1 UNL1 -0.0075 13 C -0.5681 2.6833 -0.5496 C.2 1 UNL1 -0.0864 14 S -0.6595 4.2038 -0.9962 S.2 1 UNL1 0.0189 15 N -2.4395 1.1549 -0.0798 N.pl3 1 UNL1 -0.4455 16 N -1.3122 -0.7343 -1.9782 N.pl3 1 UNL1 -0.4956 17 C -2.1842 -1.1127 -0.9227 C.ar 1 UNL1 0.2343 18 C -2.6425 -0.2259 0.0093 C.ar 1 UNL1 -0.1188 19 C -3.4928 -0.7001 1.1431 C.ar 1 UNL1 0.6014 20 O -3.7941 0.0041 2.0732 O.2 1 UNL1 -0.4261 21 N -3.8826 -2.0484 1.0871 N.ar 1 UNL1 -0.6034 22 C -3.5030 -2.8292 0.1032 C.ar 1 UNL1 0.5698 23 N -2.5671 -2.4722 -0.8895 N.ar 1 UNL1 -0.5308 24 N -4.0418 -4.1107 -0.0153 N.pl3 1 UNL1 -0.6065 25 H 2.8221 -2.1382 -1.4856 H 1 UNL1 0.3209 26 H 5.5747 -0.4903 -0.8706 H 1 UNL1 0.3074 27 H 2.6554 0.9383 1.5193 H 1 UNL1 0.1540 28 H 1.5496 -0.4997 1.3226 H 1 UNL1 0.1594 29 H 1.8733 1.4511 -1.0455 H 1 UNL1 0.1540 30 H -0.0151 0.8213 -2.5833 H 1 UNL1 0.1439 31 H -2.1177 1.9837 -1.9536 H 1 UNL1 0.1915 32 H -2.3706 1.6206 0.8272 H 1 UNL1 0.3103 33 H -0.6988 -1.4885 -2.3059 H 1 UNL1 0.2956 34 H -2.5066 -3.0062 -1.7488 H 1 UNL1 0.3235 35 H -4.6576 -4.3885 0.7441 H 1 UNL1 0.3235 36 H -3.4560 -4.8495 -0.3537 H 1 UNL1 0.2953 @BOND 1 30 11 1 2 33 16 1 3 16 11 1 4 16 17 1 5 31 12 1 6 34 23 1 7 11 12 1 8 11 10 1 9 25 1 1 10 1 2 1 11 12 13 1 12 12 15 1 13 29 7 1 14 14 13 2 15 17 23 ar 16 17 18 ar 17 23 22 ar 18 26 4 1 19 10 7 1 20 13 8 1 21 36 24 1 22 7 8 1 23 7 6 1 24 5 2 1 25 5 6 1 26 15 18 1 27 15 32 1 28 24 22 1 29 24 35 1 30 18 19 ar 31 4 2 1 32 22 21 ar 33 2 3 2 34 8 9 2 35 6 28 1 36 6 27 1 37 21 19 ar 38 19 20 2