@MOLECULE 5-ethyl-4a-hydroperoxy-3,8,10-trimethyl-5,10-dihydrobenzo[g]pteridine-2,4(3h,4ah)-dione 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3530 -0.4444 -1.8327 O.3 1 UNL111111111 -0.0579 2 O 2.3706 -2.1911 -0.5490 O.2 1 UNL111111111 -0.4330 3 O 1.2699 0.4802 -2.4009 O.3 1 UNL111111111 -0.2993 4 O 3.8273 1.9769 0.5227 O.2 1 UNL111111111 -0.4244 5 N -0.3455 -1.4090 0.0591 N.pl3 1 UNL111111111 -0.3990 6 N -0.7343 1.4284 0.2782 N.pl3 1 UNL111111111 -0.3253 7 N 3.0959 -0.1350 0.0666 N.am 1 UNL111111111 -0.5640 8 N 1.5596 1.6899 0.4724 N.am 1 UNL111111111 -0.6011 9 C 0.6647 -0.4898 -0.4340 C.3 1 UNL111111111 0.1568 10 C 0.5366 0.9416 0.1408 C.2 1 UNL111111111 0.3523 11 C -1.6491 -0.8276 0.0565 C.ar 1 UNL111111111 0.0703 12 C -1.8469 0.5718 0.1045 C.ar 1 UNL111111111 0.1222 13 C -0.0148 -2.1790 1.2769 C.3 1 UNL111111111 -0.0671 14 C 2.1105 -1.0384 -0.3131 C.2 1 UNL111111111 0.5543 15 C -2.7512 -1.6782 -0.0780 C.ar 1 UNL111111111 -0.1207 16 C -3.1409 1.0919 -0.0127 C.ar 1 UNL111111111 -0.2383 17 C -0.9573 2.7986 0.7579 C.3 1 UNL111111111 -0.2341 18 C -4.2305 0.2325 -0.1425 C.ar 1 UNL111111111 0.0687 19 C 0.2616 -1.3151 2.5074 C.3 1 UNL111111111 -0.4921 20 C 2.8812 1.2539 0.3461 C.2 1 UNL111111111 0.7232 21 C -4.0325 -1.1514 -0.1674 C.ar 1 UNL111111111 -0.1944 22 C 4.4921 -0.6009 0.0284 C.3 1 UNL111111111 -0.2111 23 C -5.6069 0.7951 -0.2428 C.3 1 UNL111111111 -0.4529 24 H -0.8663 -2.8718 1.4734 H 1 UNL111111111 0.1534 25 H 0.8591 -2.8346 1.0401 H 1 UNL111111111 0.1779 26 H -2.5915 -2.7567 -0.1312 H 1 UNL111111111 0.1753 27 H -3.3074 2.1669 -0.0080 H 1 UNL111111111 0.1694 28 H -1.6428 2.8054 1.6218 H 1 UNL111111111 0.1496 29 H -1.3706 3.4235 -0.0524 H 1 UNL111111111 0.1524 30 H -0.0011 3.2669 1.0864 H 1 UNL111111111 0.2049 31 H 1.1566 -0.6928 2.3863 H 1 UNL111111111 0.1583 32 H -0.5771 -0.6456 2.7324 H 1 UNL111111111 0.1561 33 H 0.4263 -1.9395 3.3944 H 1 UNL111111111 0.1628 34 H -4.8854 -1.8202 -0.2694 H 1 UNL111111111 0.1620 35 H 5.1021 -0.0373 0.7580 H 1 UNL111111111 0.1645 36 H 4.9227 -0.4497 -0.9773 H 1 UNL111111111 0.1521 37 H 4.5502 -1.6760 0.2770 H 1 UNL111111111 0.1622 38 H -5.6308 1.7430 -0.7986 H 1 UNL111111111 0.1595 39 H -6.3038 0.1128 -0.7495 H 1 UNL111111111 0.1598 40 H -6.0212 0.9951 0.7579 H 1 UNL111111111 0.1642 41 H 0.6370 1.1728 -2.7164 H 1 UNL111111111 0.2825 @BOND 1 1 3 1 2 1 9 1 3 2 14 2 4 3 41 1 5 4 20 2 6 5 9 1 7 5 11 1 8 5 13 1 9 6 10 1 10 6 12 1 11 6 17 1 12 7 14 am 13 7 20 am 14 7 22 1 15 8 10 2 16 8 20 1 17 9 10 1 18 9 14 1 19 11 12 ar 20 11 15 ar 21 12 16 ar 22 13 19 1 23 13 24 1 24 13 25 1 25 15 21 ar 26 15 26 1 27 16 18 ar 28 16 27 1 29 17 28 1 30 17 29 1 31 17 30 1 32 18 21 ar 33 18 23 1 34 19 31 1 35 19 32 1 36 19 33 1 37 21 34 1 38 22 35 1 39 22 36 1 40 22 37 1 41 23 38 1 42 23 39 1 43 23 40 1