ATOM 37
1 C1y C 15.5212 -16.9979
2 C1y C 16.9204 -16.9979
3 C7x C 17.3527 -15.6672
4 O7x O 16.2208 -14.8447
5 C1x C 15.0888 -15.6672
6 O6a O 18.6716 -15.2386
7 C1b C 18.1321 -17.6975
8 C8y C 19.3439 -16.9979
9 C1b C 14.3094 -17.6975
10 C8y C 13.0976 -16.9979
11 C8x C 20.5743 -17.7085
12 C8x C 21.7862 -17.0091
13 C8y C 21.7864 -15.6099
14 C8y C 20.5560 -14.8993
15 C8x C 19.3441 -15.5987
16 C8x C 13.0976 -15.5989
17 C8y C 11.8859 -14.8993
18 C8y C 10.6742 -15.5989
19 C8x C 10.6742 -16.9979
20 C8x C 11.8859 -17.6975
21 O2a O 23.0265 -14.8940
22 C1y C 24.2257 -15.5866
23 O2a O 20.5562 -13.4999
24 C1a C 21.7697 -12.7995
25 O2a O 11.8859 -13.4999
26 O1a O 9.4771 -14.9077
27 C1a C 10.6721 -12.7991
28 C1y C 24.2257 -16.9976
29 C1y C 25.4375 -17.6972
30 C1y C 26.6493 -16.9975
31 C1y C 26.6493 -15.5865
32 O2x O 25.4374 -14.8870
33 C1b C 27.8525 -14.8919
34 O1a O 25.4375 -19.0967
35 O1a O 29.0536 -15.5855
36 O1a O 22.9920 -17.7102
37 O1a O 27.8580 -17.6953
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 2
7 2 7 1 #Down
8 7 8 1
9 1 9 1 #Up
10 9 10 1
11 8 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 8 15 1
17 10 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 10 20 1
23 13 21 1
24 22 21 1 #Up
25 14 23 1
26 23 24 1
27 17 25 1
28 18 26 1
29 25 27 1
30 22 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 22 32 1
36 31 33 1 #Up
37 29 34 1 #Up
38 33 35 1
39 28 36 1 #Down
40 30 37 1 #Down
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