ATOM 27
1 C1x C 7.5600 -10.1500
2 C1x C 7.5600 -11.5500
3 C2x C 8.7724 -12.2500
4 C2y C 9.9849 -11.5500
5 C1z C 9.9849 -10.1500
6 C1x C 8.7724 -9.4500
7 C1y C 11.1973 -12.2500
8 C1x C 12.4097 -11.5500
9 C1y C 12.4097 -10.1500
10 C1y C 11.1973 -9.4500
11 C1y C 13.6222 -9.4500
12 C1z C 13.6222 -8.0500
13 C1x C 12.4097 -7.3500
14 C1x C 11.1973 -8.0500
15 C1x C 16.0470 -9.4500
16 C1x C 16.0470 -8.0500
17 C1z C 14.8346 -7.3500
18 C1a C 11.1973 -13.6500
19 O7a O 16.0470 -6.6500
20 C1a C 9.9849 -8.7500
21 C1a C 13.6222 -6.6500
22 C5a C 14.8346 -5.9500
23 O5a O 16.0511 -5.2477
24 C1a C 13.6262 -5.2523
25 C7a C 17.2466 -7.3427
26 C1a C 18.4359 -6.6560
27 O6a O 17.2467 -8.7497
BOND 30
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 7 18 1 #Down
22 17 19 1 #Down
23 5 20 1 #Up
24 12 21 1 #Up
25 17 22 1 #Up
26 22 23 2
27 22 24 1
28 19 25 1
29 25 26 1
30 25 27 2
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