11-(hydroxy(oxido)amino)-2-methylanthra-9,10-quinone
2DAtclserve10200012203D 0   0.00000     0.00000NCI NS
3
4 29 31  0  0  0  0  0  0  0  0  2 V2000
5    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
6    0.5400   -0.6600   -0.8800 N   0  3  0  0  0  0  0  0  0  0  0  0
7    1.0600   -0.2000   -1.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
8    4.2000   -4.2600   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
9    2.9000   -5.0000   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
10    1.6800   -4.1800   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
11    1.7200   -2.7600   -0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
12    0.5200   -2.0400   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
13    5.3800   -4.9800    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
14    6.6200   -4.3200    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
15    6.6800   -2.9200    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
16    5.5000   -2.1800   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
17    4.2600   -2.8400   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
18    3.0200   -2.0200   -0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
19    3.0800   -0.8000   -0.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
20    2.8600   -6.2000   -0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
21    0.4400   -4.8400   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
22   -0.7600   -4.1200   -0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
23   -0.7000   -2.7200   -0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
24   -1.9600   -1.9600   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
25    5.3405   -6.0452    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
26    7.5158   -4.8808    0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
27    7.6240   -2.4184    0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
28    5.5457   -1.1149   -0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
29    0.4047   -5.9054   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
30   -1.6992   -4.6308   -0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
31   -2.1022   -1.2656   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
32   -1.8985   -1.4278   -1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
33   -2.7855   -2.6400   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
34  1  2  1  0  0  0  0
35  2  3  2  0  0  0  0
36  4  5  1  0  0  0  0
37  5  6  1  0  0  0  0
38  6  7  2  0  0  0  0
39  7  8  1  0  0  0  0
40  2  8  1  0  0  0  0
41  4  9  2  0  0  0  0
42  9 10  1  0  0  0  0
43 10 11  2  0  0  0  0
44 11 12  1  0  0  0  0
45 12 13  2  0  0  0  0
46  4 13  1  0  0  0  0
47 13 14  1  0  0  0  0
48  7 14  1  0  0  0  0
49 14 15  2  0  0  0  0
50  5 16  2  0  0  0  0
51  6 17  1  0  0  0  0
52 17 18  2  0  0  0  0
53 18 19  1  0  0  0  0
54  8 19  2  0  0  0  0
55 19 20  1  0  0  0  0
56  9 21  1  0  0  0  0
57 10 22  1  0  0  0  0
58 11 23  1  0  0  0  0
59 12 24  1  0  0  0  0
60 17 25  1  0  0  0  0
61 18 26  1  0  0  0  0
62 20 27  1  0  0  0  0
63 20 28  1  0  0  0  0
64 20 29  1  0  0  0  0
65M  CHG  2   1  -1   2   1
66M  END
67