ATOM 38
1 C1y C 21.8156 -16.0187
2 C1y C 21.8156 -17.3720
3 O2x O 22.9660 -15.3421
4 C1b C 20.5977 -15.3421
5 C1y C 22.9660 -18.0487
6 O1a O 20.5977 -18.0487
7 C1y C 24.1839 -16.0187
8 C1y C 24.1839 -17.3720
9 O1a O 22.9660 -19.4020
10 O1a O 25.3343 -18.0487
11 O1a O 27.7026 -13.9887
12 C1b C 26.4846 -13.3121
13 C1c C 25.3343 -13.9887
14 C6a C 24.1163 -13.3121
15 O2a O 25.3343 -15.3421
16 O6a O 22.8983 -13.9887
17 O6a O 24.1163 -11.8910
18 C1y C 14.9067 -16.9593
19 C1y C 14.9067 -18.3389
20 O2x O 16.0793 -16.3385
21 C1b C 13.6651 -16.3385
22 C1y C 16.0793 -19.0287
23 O1a O 13.6651 -19.0287
24 C1y C 17.3210 -16.9593
25 O7a O 12.6994 -17.1662
26 C1y C 17.3210 -18.3389
27 O1a O 16.0793 -20.4083
28 O1a O 18.4936 -19.0287
29 O2a O 19.1087 -15.9284
30 C7a C 11.4869 -16.4662
31 C1b C 10.2676 -17.1500
32 C1b C 9.0551 -16.4500
33 C1b C 7.8427 -17.1500
34 C1b C 6.6303 -16.4500
35 C1b C 5.4178 -17.1500
36 C1b C 4.2054 -16.4500
37 C1a C 2.9930 -17.1500
38 O6a O 11.4959 -15.0501
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 5 8 1
8 5 9 1 #Up
9 8 10 1 #Down
10 7 8 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 1 #Up
15 14 16 1
16 14 17 2
17 7 15 1 #Down
18 18 19 1
19 18 20 1
20 18 21 1 #Up
21 19 22 1
22 19 23 1 #Down
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 1 #Up
27 26 28 1 #Down
28 24 26 1
29 24 29 1 #Down
30 4 29 1
31 25 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 30 38 2
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