ATOM 31
1 C1z C 25.6843 -16.3737
2 C1z C 26.6111 -15.3539
3 C1z C 24.5711 -17.1898
4 C1y C 26.3721 -17.5686
5 C1y C 25.2646 -15.0332
6 C1y C 27.9982 -15.3539
7 C1y C 27.8757 -15.9133
8 C1y C 26.1797 -14.0307
9 C1z C 23.4346 -16.3680
10 O2x O 26.6984 -16.3913
11 C7x C 24.5711 -18.5827
12 C1y C 27.7242 -17.2829
13 O7x O 25.8009 -18.8391
14 C1y C 23.8658 -15.0332
15 O1a O 24.9092 -16.0591
16 O7x O 28.4237 -14.0307
17 C1d C 29.2105 -15.5403
18 C7x C 27.2988 -13.2147
19 O1a O 26.1680 -12.6319
20 C1y C 22.0299 -16.3680
21 O1a O 22.7816 -17.7085
22 O6a O 23.4927 -19.4628
23 O1a O 29.0764 -17.7436
24 O7x O 22.7235 -14.2055
25 C1a C 30.4582 -16.5718
26 C1a C 30.3994 -14.5259
27 C1a C 30.5801 -15.5457
28 O6a O 27.2988 -11.8218
29 C7x C 21.5870 -15.0332
30 C1a C 21.6568 -17.7085
31 O6a O 20.2580 -14.6078
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1
8 3 9 1
9 3 10 1 #Up
10 3 11 1
11 4 12 1
12 4 13 1
13 5 14 1
14 5 15 1 #Down
15 6 16 1
16 7 17 1 #Down
17 8 18 1
18 8 19 1 #Up
19 9 20 1
20 9 21 1 #Down
21 11 22 2
22 12 23 1 #Up
23 14 24 1
24 17 25 1
25 17 26 1
26 17 27 1
27 18 28 2
28 20 29 1
29 20 30 1 #Down
30 29 31 2
31 6 10 1 #Up
32 7 12 1
33 9 14 1
34 11 13 1
35 16 18 1
36 24 29 1
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