ATOM 43
1 C1z C 31.9019 -18.3402
2 C1z C 30.6887 -19.0402
3 C1y C 31.9079 -16.9402
4 C1y C 33.1153 -19.0459
5 C1b C 31.8903 -19.7402
6 C1y C 29.4755 -18.3402
7 C1x C 29.9830 -20.2534
8 O2x O 31.3945 -20.2534
9 C1z C 33.1270 -16.2402
10 C1x C 30.6946 -16.2343
11 C2x C 34.4045 -18.3519
12 O7a O 33.5878 -20.4459
13 O7a O 32.5845 -20.9417
14 C1y C 29.4755 -16.9402
15 O7a O 28.2680 -19.0402
16 C1y C 33.1328 -14.8402
17 C2y C 34.3402 -16.9519
18 C1a C 34.3345 -15.0385
19 C7a C 34.7895 -21.1459
20 C7a C 31.8962 -22.1435
21 O1a O 28.2680 -16.2343
22 C7a C 27.0546 -18.3343
23 C1x C 34.2528 -14.0003
24 O2x O 31.9779 -14.0411
25 C1a C 35.5594 -16.2519
26 C1a C 34.7895 -22.5400
27 O6a O 35.9970 -20.4459
28 O6a O 30.5021 -22.1492
29 C1a C 32.5962 -23.3508
30 C1d C 25.8414 -19.0285
31 O6a O 26.9905 -17.1443
32 C1y C 33.7920 -12.6761
33 C1y C 32.3920 -12.6936
34 O7a O 24.6280 -18.3285
35 C1b C 25.4738 -20.3818
36 C1a C 26.5297 -20.2417
37 C2x C 34.2061 -11.3345
38 O2x O 31.9312 -11.3695
39 C7a C 23.4148 -19.0168
40 C1a C 26.1621 -21.5950
41 C2x C 33.0570 -10.5406
42 C1a C 22.2015 -18.3226
43 O6a O 23.4148 -20.4226
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1 #Up
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 4 12 1 #Down
12 5 13 1
13 6 14 1
14 6 15 1 #Up
15 9 16 1
16 9 17 1
17 9 18 1 #Down
18 12 19 1
19 13 20 1
20 14 21 1 #Down
21 15 22 1
22 16 23 1
23 16 24 1
24 17 25 1
25 19 26 1
26 19 27 2
27 20 28 2
28 20 29 1
29 22 30 1
30 22 31 2
31 23 32 1
32 24 33 1
33 30 34 1
34 30 35 1 #Up
35 30 36 1 #Down
36 32 37 1
37 33 38 1
38 34 39 1
39 35 40 1
40 37 41 2
41 39 42 1
42 39 43 2
43 7 8 1
44 10 14 1
45 11 17 2
46 32 33 1
47 38 41 1
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