ATOM 40
1 C1z C 25.4800 -30.1629
2 C1z C 25.4917 -28.7943
3 C1y C 24.2861 -30.8501
4 C1x C 27.8562 -30.1921
5 C1a C 25.4626 -31.5374
6 C1y C 26.6856 -28.1245
7 C1x C 24.3094 -28.0954
8 C1a C 25.4857 -27.4140
9 C1z C 23.1038 -30.1512
10 C1x C 24.2861 -32.2246
11 C1y C 27.8736 -28.8234
12 C1d C 26.6797 -26.7443
13 C5x C 23.1155 -28.7768
14 C1y C 21.8982 -30.8327
15 C1a C 23.7221 -31.5257
16 C2x C 23.0921 -32.9061
17 O1a O 29.0618 -28.1245
18 C5a C 27.8679 -26.0570
19 C1a C 25.4857 -26.0570
20 O1a O 26.6739 -25.0139
21 O5x O 21.9215 -28.0721
22 C2y C 21.8925 -32.2130
23 C1x C 20.7102 -30.1455
24 C2b C 29.0618 -26.7384
25 O5a O 27.8619 -24.6767
26 C1z C 20.7102 -32.9061
27 C1y C 19.5163 -30.8327
28 C2b C 30.2498 -26.0511
29 C1y C 19.5163 -32.2130
30 C1a C 21.3915 -34.1000
31 C1a C 20.0113 -34.1000
32 O1a O 18.3164 -30.1455
33 C1d C 31.4437 -26.7326
34 O1a O 18.3164 -32.8945
35 O7a O 31.4380 -28.1128
36 C1a C 32.6319 -27.4199
37 C1a C 32.6319 -26.0337
38 C7a C 31.4321 -29.4873
39 C1a C 32.6202 -30.1862
40 O6a O 30.2265 -30.1746
BOND 43
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
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 9 15 1 #Up
15 10 16 1
16 11 17 1 #Down
17 12 18 1
18 12 19 1 #Down
19 12 20 1 #Up
20 13 21 2
21 14 22 1
22 14 23 1
23 18 24 1
24 18 25 2
25 22 26 1
26 23 27 1
27 24 28 2
28 26 29 1
29 26 30 1
30 26 31 1
31 27 32 1 #Down
32 28 33 1
33 29 34 1 #Down
34 33 35 1
35 33 36 1
36 33 37 1
37 35 38 1
38 38 39 1
39 38 40 2
40 6 11 1
41 9 13 1
42 16 22 2
43 27 29 1
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