ATOM 28
1 C1z C 27.7121 -15.3310
2 C1y C 26.5410 -14.6437
3 C1y C 28.9077 -14.6671
4 C1y C 27.7121 -16.7007
5 C1z C 25.3452 -15.3193
6 C1x C 26.5525 -13.2796
7 C1y C 28.9194 -13.2972
8 O1a O 30.0847 -15.3427
9 C1x C 26.5293 -17.3892
10 O1a O 28.8960 -17.3892
11 C1y C 25.3393 -16.6890
12 C1y C 24.1682 -14.6437
13 C1a C 25.3335 -13.9494
14 C1x C 27.7354 -12.5970
15 C1z C 24.1682 -17.3833
16 C1x C 22.9724 -15.3193
17 O1a O 24.1565 -13.2738
18 C1y C 22.9724 -16.6890
19 C1a C 23.4623 -18.5603
20 C1a C 24.8675 -18.7706
21 O7a O 21.7954 -17.3833
22 C7a C 20.5939 -16.6890
23 C1a C 19.4169 -17.3833
24 O6a O 20.5881 -15.3193
25 C5x C 28.9055 -16.0193
26 C2y C 30.0991 -13.9784
27 O5x O 29.8731 -16.9939
28 C2a C 31.4762 -13.9784
BOND 31
1 2 5 1
2 2 6 1
3 3 7 1
4 3 8 1 #Up
5 4 9 1
6 4 10 1 #Down
7 5 11 1
8 5 12 1
9 5 13 1 #Down
10 6 14 1
11 11 15 1
12 12 16 1
13 12 17 1 #Down
14 15 18 1
15 15 19 1
16 15 20 1
17 18 21 1 #Up
18 21 22 1
19 22 23 1
20 22 24 2
21 7 14 1
22 9 11 1
23 16 18 1
24 1 25 1 #Up
25 1 2 1
26 7 26 1 #Up
27 25 26 1
28 1 3 1
29 25 27 2
30 1 4 1
31 26 28 2
| 
