@MOLECULE (2xi)-1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium-10-yl)-5-o-phosphono-d-erythro-pentitol 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.9860 -4.6082 0.0000 C.2 1 UNL1 0.1589 2 N 5.3157 -3.4538 0.0000 N.pl3 1 UNL1 -0.2682 3 C 5.9860 -2.2994 0.0000 C.2 1 UNL1 0.1124 4 C 5.3157 -1.1544 0.0000 C.2 1 UNL1 0.2490 5 O 5.9860 0.0000 0.0000 O.2 1 UNL1 -0.2818 6 C 3.9938 -1.1544 0.0000 C.2 1 UNL1 0.2353 7 O 3.3235 0.0000 0.0000 O.2 1 UNL1 -0.2831 8 C 2.6625 -3.4538 0.0000 C.3 1 UNL1 0.1489 9 O 1.9922 -3.4538 0.0000 O.3 1 UNL1 -0.3519 10 C 2.9883 -4.0310 0.0000 C.3 1 UNL1 0.1007 11 O 2.3274 -5.1854 0.0000 O.3 1 UNL1 -0.3531 12 P 2.9883 -6.3397 0.0000 P.3 2 UNL2 0.4316 13 O 1.8433 -7.0007 0.0000 O.3 2 UNL2 -0.1398 14 O 4.1427 -5.6695 0.0000 O.2 1 UNL1 -0.2794 15 O 3.6586 -7.4848 0.0000 O.2 2 UNL2 -0.2560 16 C 3.9938 -3.4538 0.0000 C.3 1 UNL1 0.1042 17 C 3.3235 -4.6082 0.0000 C.3 1 UNL1 0.1486 18 N 3.9938 -5.7626 0.0000 N.3 2 UNL2 -0.0358 19 C 5.3157 -5.7626 0.0000 C.2 1 UNL1 0.2794 20 C 5.9860 -6.9076 0.0000 C.2 1 UNL1 0.3284 21 O 5.3157 -8.0620 0.0000 O.2 1 UNL1 -0.2628 22 N 7.3172 -6.9076 0.0000 N.am 1 UNL1 -0.1181 23 C 7.9782 -5.7626 0.0000 C.2 1 UNL1 0.3517 24 O 9.3095 -5.7626 0.0000 O.2 1 UNL1 -0.2483 25 N 7.3172 -4.6082 0.0000 N.am 1 UNL1 -0.1429 26 C 1.9922 -4.6082 0.0000 C.3 1 UNL1 0.1499 27 C 1.3313 -3.4538 0.0000 C.3 1 UNL1 0.1365 28 C 0.0000 -3.4538 0.0000 C.3 1 UNL1 0.0367 29 C 1.9922 -2.2994 0.0000 C.2 1 UNL1 0.0076 30 C 1.3313 -1.1544 0.0000 C.2 1 UNL1 -0.0021 31 C 3.3235 -2.2994 0.0000 C.2 1 UNL1 0.0435 @BOND 1 1 2 1 2 1 25 2 3 2 3 1 4 2 16 1 5 3 4 2 6 4 5 1 7 4 6 1 8 6 7 1 9 6 31 2 10 8 9 1 11 8 10 1 12 9 27 1 13 10 16 1 14 10 17 1 15 10 26 1 16 11 17 1 17 11 26 1 18 12 13 1 19 12 15 2 20 12 18 1 21 14 19 2 22 20 21 1 23 20 22 2 24 22 23 1 25 23 24 2 26 23 25 1 27 26 27 1 28 27 28 1 29 27 29 1 30 29 30 2 31 29 31 1