ATOM 26
1 O6a O 16.0946 -10.0800
2 O1a O 17.3070 -12.1800 #-
3 C8y C 18.5195 -11.4800
4 C8y C 18.5195 -10.0800
5 C6a C 17.3070 -9.3800
6 C8x C 19.7319 -12.1800
7 C8y C 20.9444 -11.4800
8 C8x C 20.9444 -10.0800
9 C8x C 19.7319 -9.3800
10 N1a N 22.1460 -12.1738
11 O6a O 17.3070 -7.9801 #-
12 O0 O 14.3500 -9.0300 #-
13 O0 O 14.8400 -13.0200
14 C8y C 7.4200 -10.0800
15 C8x C 7.4200 -11.4800
16 C8x C 8.6324 -12.1800
17 C8y C 9.8449 -11.4800
18 C8y C 9.8449 -10.0800
19 C8x C 8.6324 -9.3800
20 C6a C 11.0573 -12.1800
21 O6a O 12.2697 -11.4800
22 O1a O 11.0573 -9.3800 #-
23 N1a N 6.2076 -9.3800
24 O6a O 11.0573 -13.5800 #-
25 Z Al 13.6500 -10.7800 #3+
26 Z Ca 25.9700 -9.9400 #2+
BOND 22
1 2 3 1
2 3 4 1
3 4 5 1
4 1 5 2
5 3 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 4 9 2
10 7 10 1
11 5 11 1
12 14 15 2
13 15 16 1
14 16 17 2
15 17 18 1
16 18 19 2
17 14 19 1
18 17 20 1
19 20 21 2
20 18 22 1
21 14 23 1
22 20 24 1
BRACKET 1 4.4800 -14.1400 4.4800 -6.0200
1 24.0800 -6.0200 24.0800 -14.1400
1 1 #GEN
|