@MOLECULE 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-8(2h)-pteridinyl]-d-ribitol 39 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.2400 -2.7969 -0.6656 O.3 1 UNL1 -0.5658 2 O 3.3325 -1.8984 1.0978 O.3 1 UNL1 -0.5819 3 O 3.0789 0.6326 -1.4526 O.3 1 UNL1 -0.5533 4 O 5.4447 1.4534 0.3400 O.3 1 UNL1 -0.5436 5 O -3.7383 -3.5177 0.6629 O.3 1 UNL1 -0.5403 6 O -4.1934 2.3818 -0.4783 O.2 1 UNL1 -0.4100 7 O -0.0375 3.8632 0.5035 O.2 1 UNL1 -0.4333 8 N -0.6282 -0.7365 0.4128 N.ar 1 UNL1 -0.2295 9 N -3.3006 -0.3228 -0.3603 N.ar 1 UNL1 -0.1668 10 N -0.2819 1.5791 0.4662 N.ar 1 UNL1 -0.6083 11 N -2.1242 3.1011 0.0598 N.ar 1 UNL1 -0.6760 12 C 1.5888 -1.4587 -0.4071 C.3 1 UNL1 0.1225 13 C 3.1114 -1.3404 -0.1815 C.3 1 UNL1 0.0580 14 C 0.7718 -0.9775 0.8092 C.3 1 UNL1 -0.1483 15 C 3.5883 0.1289 -0.2372 C.3 1 UNL1 0.0742 16 C -1.1092 0.5739 0.2667 C.ar 1 UNL1 0.3611 17 C 5.1224 0.2342 -0.3057 C.3 1 UNL1 -0.0449 18 C -1.4454 -1.7871 0.1196 C.ar 1 UNL1 0.0829 19 C -2.5180 0.7014 -0.1099 C.ar 1 UNL1 -0.1183 20 CA -2.7672 -1.5687 -0.2605 C.ar 1 UNL1 -0.0908 21 C -3.0590 2.0859 -0.2045 C.ar 1 UNL1 0.5918 22 C -3.6774 -2.7373 -0.5119 C.3 1 UNL1 0.0255 23 C -0.7455 2.8992 0.3633 C.ar 1 UNL1 0.7187 24 H 1.2934 -0.9290 -1.3469 H 1 UNL1 0.1819 25 H 3.6479 -1.9751 -0.9220 H 1 UNL1 0.1503 26 H 0.8032 -1.7354 1.6287 H 1 UNL1 0.1769 27 H 1.2145 -0.0410 1.2438 H 1 UNL1 0.2114 28 H 3.2040 0.7175 0.6296 H 1 UNL1 0.1626 29 H 5.6291 -0.5587 0.2742 H 1 UNL1 0.1192 30 H 5.4743 0.2241 -1.3523 H 1 UNL1 0.1405 31 H -1.0251 -2.8046 0.1991 H 1 UNL1 0.2152 32 H 1.7113 -3.4106 -0.0574 H 1 UNL1 0.3369 33 H 4.1493 -1.5522 1.5120 H 1 UNL1 0.3362 34 H 2.5684 1.4583 -1.2899 H 1 UNL1 0.3456 35 H1 -3.2673 -3.4374 -1.2663 H 1 UNL1 0.1552 36 H2 -4.6951 -2.4199 -0.8183 H 1 UNL1 0.1550 37 H 6.1741 1.9117 -0.1232 H 1 UNL1 0.3214 38 H -2.4557 4.0691 0.0103 H 1 UNL1 0.3462 39 H -4.2030 -3.0273 1.3757 H 1 UNL1 0.3219 @BOND 1 3 34 1 2 3 15 1 3 30 17 1 4 24 12 1 5 35 22 1 6 25 13 1 7 36 22 1 8 1 12 1 9 1 32 1 10 22 20 1 11 22 5 1 12 6 21 2 13 12 13 1 14 12 14 1 15 9 20 ar 16 9 19 ar 17 17 15 1 18 17 29 1 19 17 4 1 20 20 18 ar 21 15 13 1 22 15 28 1 23 21 19 ar 24 21 11 ar 25 13 2 1 26 37 4 1 27 19 16 ar 28 38 11 1 29 11 23 ar 30 18 31 1 31 18 8 ar 32 16 8 ar 33 16 10 ar 34 23 10 ar 35 23 7 2 36 8 14 1 37 5 39 1 38 14 27 1 39 14 26 1 40 2 33 1