ATOM 31
1 C1x C 20.8853 -21.1830
2 C5x C 20.8853 -22.5999
3 C1y C 22.1124 -23.3084
4 C1z C 23.3396 -22.5999
5 C1y C 23.3396 -21.1830
6 C1x C 22.1124 -20.4745
7 C1x C 24.5667 -23.3084
8 C1x C 25.7937 -22.5999
9 C1y C 25.7937 -21.1830
10 C1z C 24.5667 -20.4745
11 C1z C 27.0208 -20.4745
12 C1z C 27.0209 -19.0576
13 C1x C 25.7938 -18.3491
14 C1x C 24.5667 -19.0576
15 C1x C 28.2480 -21.1830
16 C1x C 29.4751 -20.4745
17 C1z C 29.4751 -19.0576
18 C1x C 28.2480 -18.3491
19 C1b C 30.6893 -18.3566
20 C1b C 31.8929 -19.0515
21 C2b C 33.0977 -18.3559
22 C2c C 34.3020 -19.0512
23 O5x O 19.6582 -23.3084
24 C1a C 22.1124 -24.7252
25 C1a C 23.3396 -24.0169
26 C1a C 24.5667 -21.4655
27 C1a C 27.0208 -21.8915
28 C1a C 27.0209 -17.6406
29 C1a C 29.4751 -17.6406
30 C1a C 35.5065 -18.3557
31 C1a C 34.3021 -20.4743
BOND 34
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 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 2
26 2 23 2
27 3 24 1 #Up
28 4 25 1 #Up
29 10 26 1 #Up
30 11 27 1 #Up
31 12 28 1 #Down
32 17 29 1 #Up
33 22 30 1
34 22 31 1
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