ATOM 27
1 C1c C 25.7708 -15.4745
2 C1c C 24.5099 -14.7740
3 C1c C 26.9617 -14.7740
4 O1a O 25.7708 -16.8755
5 C1c C 23.3190 -15.4745
6 O1a O 24.5799 -13.3729
7 C1b C 28.2226 -15.4745
8 O1a O 26.9617 -13.3729
9 C6a C 22.1281 -14.7740
10 O1a O 23.3190 -16.8755
11 O1a O 29.4135 -14.7740
12 O6a O 22.1281 -13.3729
13 O6a O 20.9372 -15.4745 #-
14 Z Ca 17.5748 -15.3344 #2+
15 C1c C 25.7708 -15.4745
16 C1c C 24.5099 -14.7740
17 C1c C 23.3190 -15.4745
18 C6a C 22.1281 -14.7740
19 O6a O 22.1281 -13.3729
20 O6a O 20.9372 -15.4745 #-
21 O1a O 23.3190 -16.8755
22 O1a O 24.5799 -13.3729
23 C1c C 26.9617 -14.7740
24 C1b C 28.2226 -15.4745
25 O1a O 29.4135 -14.7740
26 O1a O 26.9617 -13.3729
27 O1a O 25.7708 -16.8755
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 7 11 1
11 9 12 2
12 9 13 1
13 15 16 1
14 15 23 1
15 15 27 1 #Up
16 16 17 1
17 16 22 1 #Up
18 23 24 1
19 23 26 1 #Down
20 17 18 1
21 17 21 1 #Up
22 24 25 1
23 18 19 2
24 18 20 1
BRACKET 1 20.1600 -17.7800 20.1600 -12.5300
1 30.6600 -12.5300 30.6600 -17.7800
1 2
ORIGINAL 1 1 2 5 9 12 13 10 6 3 7 11 8 4
REPEAT 1 15 16 17 18 19 20 21 22 23 24 25 26 27
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