@MOLECULE 2-[(2r)-5,5-dimethyltetrahydro-2-furanyl]-5,8-dihydroxy-1,4-naphthoquinone 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0480 -0.2323 0.8635 O.3 1 UNL111111111111 -0.4415 2 O 0.1463 2.3941 0.3286 O.2 1 UNL111111111111 -0.4964 3 O 0.9795 -2.8684 0.2056 O.2 1 UNL111111111111 -0.4851 4 O 2.7080 2.8623 -0.0694 O.3 1 UNL111111111111 -0.4609 5 O 3.5543 -2.5035 -0.1865 O.3 1 UNL111111111111 -0.4620 6 C -3.9495 -0.3718 -0.2438 C.3 1 UNL111111111111 0.3266 7 C -3.5374 0.6729 -1.3024 C.3 1 UNL111111111111 -0.3319 8 C -2.1196 0.8169 0.6578 C.3 1 UNL111111111111 0.1366 9 C -2.6007 1.6300 -0.5574 C.3 1 UNL111111111111 -0.2974 10 C -0.7510 0.2248 0.4540 C.2 1 UNL111111111111 -0.0955 11 C -3.8103 -1.8095 -0.7406 C.3 1 UNL111111111111 -0.4940 12 C -5.3413 -0.1069 0.3314 C.3 1 UNL111111111111 -0.4927 13 C 0.3636 1.1938 0.2896 C.2 1 UNL111111111111 0.4847 14 C -0.5270 -1.0934 0.4492 C.2 1 UNL111111111111 -0.2062 15 C 1.7157 0.6696 0.0869 C.ar 1 UNL111111111111 -0.2622 16 C 1.9414 -0.7321 0.0583 C.ar 1 UNL111111111111 -0.2603 17 C 0.8189 -1.6591 0.2373 C.2 1 UNL111111111111 0.4876 18 C 2.7978 1.5245 -0.0806 C.ar 1 UNL111111111111 0.3181 19 C 3.2316 -1.2034 -0.1396 C.ar 1 UNL111111111111 0.3136 20 C 4.1231 1.0312 -0.2840 C.ar 1 UNL111111111111 -0.1637 21 C 4.3379 -0.3158 -0.3132 C.ar 1 UNL111111111111 -0.1556 22 H -4.4090 1.1947 -1.7250 H 1 UNL111111111111 0.1488 23 H -3.0242 0.1985 -2.1558 H 1 UNL111111111111 0.1506 24 H -2.1464 1.4027 1.6081 H 1 UNL111111111111 0.1562 25 H -1.7709 1.9829 -1.1902 H 1 UNL111111111111 0.1599 26 H -3.1325 2.5395 -0.2280 H 1 UNL111111111111 0.1511 27 H -4.5468 -2.0364 -1.5174 H 1 UNL111111111111 0.1518 28 H -2.8128 -1.9994 -1.1531 H 1 UNL111111111111 0.1576 29 H -3.9593 -2.5215 0.0815 H 1 UNL111111111111 0.1629 30 H -5.5349 -0.7601 1.1920 H 1 UNL111111111111 0.1622 31 H -5.4284 0.9245 0.6923 H 1 UNL111111111111 0.1565 32 H -6.1262 -0.2809 -0.4090 H 1 UNL111111111111 0.1487 33 H -1.3316 -1.8246 0.6018 H 1 UNL111111111111 0.2069 34 H 4.9301 1.7555 -0.4115 H 1 UNL111111111111 0.1846 35 H 5.3283 -0.7487 -0.4639 H 1 UNL111111111111 0.1846 36 H 1.7486 3.1584 0.0842 H 1 UNL111111111111 0.3767 37 H 2.7273 -3.0845 -0.0571 H 1 UNL111111111111 0.3790 @BOND 1 1 6 1 2 1 8 1 3 2 13 2 4 3 17 2 5 4 18 1 6 4 36 1 7 5 19 1 8 5 37 1 9 6 7 1 10 6 11 1 11 6 12 1 12 7 9 1 13 7 22 1 14 7 23 1 15 8 9 1 16 8 10 1 17 8 24 1 18 9 25 1 19 9 26 1 20 10 13 1 21 10 14 2 22 11 27 1 23 11 28 1 24 11 29 1 25 12 30 1 26 12 31 1 27 12 32 1 28 13 15 1 29 14 17 1 30 14 33 1 31 15 16 ar 32 15 18 ar 33 16 17 1 34 16 19 ar 35 18 20 ar 36 19 21 ar 37 20 21 ar 38 20 34 1 39 21 35 1