ATOM 22
1 C5a C 30.8700 -25.2700
2 O5a O 30.8700 -26.6700
3 O6a O 33.3200 -26.6700 #-
4 C6a C 33.3200 -25.2700
5 C1b C 32.0600 -24.5700
6 O6a O 34.5100 -24.5700
7 C1a C 29.6800 -24.5700
8 O6a O 33.2500 -30.8700 #-
9 C6a C 34.4400 -31.5700
10 C1b C 35.7000 -30.8700
11 C5a C 35.7000 -29.4700
12 O5a O 34.4400 -28.7700
13 O6a O 34.4400 -32.9700
14 C1a C 36.8900 -28.7700
15 C6a C 28.4200 -29.4700
16 C1b C 28.4200 -30.8700
17 C5a C 29.6100 -31.5700
18 O5a O 30.8700 -30.8700
19 O6a O 29.6100 -28.7700 #-
20 O6a O 27.2300 -28.7700
21 C1a C 29.6100 -32.9700
22 Z Al 31.7800 -28.9100 #3+
BOND 18
1 1 2 2
2 3 4 1
3 4 5 1
4 1 5 1
5 4 6 2
6 1 7 1
7 8 9 1
8 9 10 1
9 10 11 1
10 11 12 2
11 9 13 2
12 11 14 1
13 15 16 1
14 16 17 1
15 17 18 2
16 15 19 1
17 15 20 2
18 17 21 1
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