ATOM 32
1 C1x C 16.7224 -11.7057
2 C1y C 16.7224 -13.0146
3 C1x C 17.8349 -13.6690
4 C1y C 19.0128 -13.0146
5 C1z C 19.0128 -11.7057
6 C1x C 17.8349 -11.0513
7 C1x C 20.1253 -13.6690
8 C1x C 21.2378 -13.0146
9 C1y C 21.2378 -11.7057
10 C1y C 20.1253 -11.0513
11 C1z C 22.4157 -11.0513
12 C1z C 22.4157 -9.7425
13 C1x C 21.2378 -9.0881
14 C1x C 20.1253 -9.7425
15 C1y C 24.6407 -11.0513
16 C1y C 24.6407 -9.7425
17 C1y C 23.5282 -9.0881
18 O2x O 23.4812 -12.5657
19 C1a C 22.3997 -8.4338
20 C1a C 18.9967 -10.3970
21 O1a O 15.5862 -13.6644
22 O7a O 26.3631 -8.8803
23 C7a C 27.4965 -9.5347
24 C1a C 28.6425 -8.8728
25 O6a O 27.4964 -10.8548
26 C8y C 23.5282 -7.7000
27 C8x C 24.7344 -7.0035
28 C8x C 24.7343 -5.6035
29 C8y C 23.5219 -4.9036
30 O7x O 22.3156 -5.6001
31 C8x C 22.3157 -7.0001
32 O6a O 23.5218 -3.5000
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
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 11 18 1 #Up
22 15 18 1 #Up
23 12 19 1 #Up
24 5 20 1 #Up
25 2 21 1 #Up
26 16 22 1 #Up
27 22 23 1
28 23 24 1
29 23 25 2
30 17 26 1 #Up
31 26 27 1
32 27 28 2
33 28 29 1
34 29 30 1
35 30 31 1
36 26 31 2
37 29 32 2
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