ATOM 37
1 C1y C 21.6233 -16.5848
2 C2y C 20.5036 -17.2846
3 C1z C 21.6233 -15.2553
4 C1x C 24.0025 -16.5848
5 C1y C 19.3140 -16.5848
6 C2x C 20.4337 -18.6142
7 C1y C 22.8129 -14.5555
8 C1x C 20.5036 -14.5555
9 C1a C 21.6233 -13.8557
10 C1x C 24.0025 -15.2553
11 C1z C 18.1244 -17.2846
12 C1x C 19.3140 -15.2553
13 C2x C 19.3140 -19.3140
14 C1c C 22.8129 -13.2259
15 C2y C 18.1244 -18.6142
16 C1x C 16.9347 -16.5848
17 C1a C 18.1244 -15.8851
18 C2b C 24.0725 -12.5261
19 C1a C 21.6233 -12.5261
20 C1x C 16.9347 -19.3140
21 C1x C 15.7451 -17.2846
22 C2b C 25.2622 -13.2259
23 C1y C 15.7451 -18.6142
24 C1c C 26.4518 -12.5261
25 O7a O 14.5555 -19.3140
26 C1c C 27.6414 -13.2259
27 C1a C 26.4518 -11.1965
28 C1a C 28.8310 -12.5261
29 C1a C 27.6414 -14.6954
30 C7a C 13.3658 -18.6142
31 C1c C 12.1062 -19.3140
32 C1b C 10.9166 -18.6142
33 C6a C 9.7270 -19.3140
34 O6a O 8.4674 -18.6142
35 O6a O 13.3658 -17.2147
36 N1a N 12.1062 -20.7136
37 O6a O 9.7270 -20.7136
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 2
22 20 23 1
23 22 24 1
24 23 25 1 #Up
25 24 26 1
26 24 27 1 #Down
27 26 28 1
28 26 29 1
29 7 10 1
30 8 12 1
31 13 15 2
32 21 23 1
33 25 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 30 35 2
39 31 36 1 #Up
40 33 37 2
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