@MOLECULE 3-amino-6-ethyl-4,5,7,8-tetrahydroxy-1,2-naphthalenedione 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2505 -2.4868 -0.4134 O.3 1 UNL1111111111 -0.5146 2 O 3.2536 1.7958 -0.1392 O.3 1 UNL1111111111 -0.4322 3 O 0.8255 2.9434 0.0102 O.3 1 UNL1111111111 -0.4871 4 O -1.3228 -2.7852 -0.0589 O.2 1 UNL1111111111 -0.4646 5 O -1.7469 2.6223 0.2181 O.2 1 UNL1111111111 -0.4156 6 O -3.9489 1.0374 -0.0983 O.2 1 UNL1111111111 -0.3453 7 N -3.7498 -1.6985 0.3588 N.pl3 1 UNL1111111111 -0.5539 8 C -0.1645 -0.6190 -0.1360 C.ar 1 UNL1111111111 -0.0903 9 C 2.2900 -0.3384 -0.2538 C.ar 1 UNL1111111111 -0.1131 10 C -0.2979 0.7937 -0.0553 C.ar 1 UNL1111111111 -0.2526 11 C 1.1238 -1.1370 -0.2536 C.ar 1 UNL1111111111 0.2377 12 C 2.1350 1.0337 -0.1549 C.ar 1 UNL1111111111 0.1898 13 C 0.8344 1.6003 -0.0640 C.ar 1 UNL1111111111 0.2315 14 C 3.6494 -0.9505 -0.3088 C.3 1 UNL1111111111 -0.2474 15 C -1.3692 -1.4292 -0.0450 C.2 1 UNL1111111111 0.1938 16 C -1.6144 1.4252 0.0720 C.2 1 UNL1111111111 0.3991 17 C -2.6285 -0.9088 0.0768 C.2 1 UNL1111111111 -0.0565 18 C -2.8576 0.5415 0.0139 C.2 1 UNL1111111111 0.3617 19 C 4.0931 -1.3388 1.1040 C.3 1 UNL1111111111 -0.4340 20 H 3.6772 -1.8228 -0.9954 H 1 UNL1111111111 0.1452 21 H 4.3812 -0.2314 -0.7459 H 1 UNL1111111111 0.1749 22 H 5.0837 -1.8058 1.0966 H 1 UNL1111111111 0.1488 23 H 3.3961 -2.0318 1.5864 H 1 UNL1111111111 0.1384 24 H 4.1591 -0.4502 1.7493 H 1 UNL1111111111 0.1619 25 H 2.1167 -2.8297 -0.0784 H 1 UNL1111111111 0.3553 26 H -0.1251 3.2916 0.1318 H 1 UNL1111111111 0.3893 27 H 3.0214 2.7650 -0.0528 H 1 UNL1111111111 0.3484 28 H -3.6496 -2.6786 0.1591 H 1 UNL1111111111 0.2892 29 H -4.6324 -1.3122 0.0676 H 1 UNL1111111111 0.2879 30 H -0.3957 -3.1088 -0.2072 H 1 UNL1111111111 0.3544 @BOND 1 1 11 1 2 1 25 1 3 2 12 1 4 2 27 1 5 3 13 1 6 3 26 1 7 4 15 1 8 4 30 1 9 5 16 2 10 6 18 2 11 7 17 1 12 7 28 1 13 7 29 1 14 8 10 ar 15 8 11 ar 16 8 15 1 17 9 11 ar 18 9 12 ar 19 9 14 1 20 10 13 ar 21 10 16 1 22 12 13 ar 23 14 19 1 24 14 20 1 25 14 21 1 26 15 17 2 27 16 18 1 28 17 18 1 29 19 22 1 30 19 23 1 31 19 24 1