ATOM 40
1 C1z C 21.9625 -13.8208
2 C1y C 22.0012 -15.2217
3 C1z C 23.1666 -14.4248
4 C1x C 20.6366 -13.1929
5 O7a O 22.8829 -12.8185
6 C1y C 20.8238 -16.0067
7 C1a C 24.3682 -13.7243
8 C1a C 24.5132 -14.7871
9 C1y C 19.5351 -13.9838
10 C7a C 22.8768 -11.4176
11 C1y C 21.1197 -17.3775
12 C1z C 19.5558 -15.3847
13 C1a C 18.2454 -13.2713
14 C1b C 24.0905 -10.7171
15 O6a O 21.6571 -10.7171
16 C1z C 20.2380 -18.4523
17 O2x O 21.4748 -18.4656
18 C1y C 18.3179 -15.9826
19 O1a O 19.5437 -16.7856
20 C1b C 25.2982 -11.4116
21 C1y C 18.8312 -18.4462
22 C1b C 20.2260 -19.8532
23 C1z C 17.9858 -17.3412
24 C2x C 17.1284 -15.2338
25 C1b C 26.5119 -10.7051
26 O1a O 18.8251 -19.8411
27 O1a O 21.4337 -20.5475
28 C5x C 16.5728 -17.3679
29 O1a O 17.9556 -18.7360
30 C2y C 16.0536 -16.1335
31 C1b C 27.7135 -11.4055
32 O5x O 15.8301 -18.6153
33 C1a C 14.6949 -15.7894
34 C1b C 28.9332 -10.6991
35 C1b C 30.1348 -11.3996
36 C1b C 31.3485 -10.6930
37 C1b C 32.5562 -11.3934
38 C1b C 33.7699 -10.6870
39 C1b C 34.9776 -11.3813
40 C1a C 36.1913 -10.6809
BOND 44
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 9 13 1 #Down
13 10 14 1
14 10 15 2
15 11 16 1
16 11 17 1
17 12 18 1
18 12 19 1 #Down
19 14 20 1
20 16 21 1
21 16 22 1 #Up
22 18 23 1
23 18 24 1
24 20 25 1
25 21 26 1 #Up
26 22 27 1
27 23 28 1
28 23 29 1 #Up
29 24 30 2
30 25 31 1
31 28 32 2
32 30 33 1
33 31 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 2 3 1
41 9 12 1
42 16 17 1
43 21 23 1
44 28 30 1
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