ATOM 40
1 C8y C 20.3700 -18.3400
2 C8x C 20.7900 -17.0100
3 N4x N 22.1900 -17.0100
4 C8y C 22.6100 -18.3400
5 C8y C 21.4900 -19.1800
6 C5a C 23.8000 -19.0400
7 N1b N 25.0600 -18.3400
8 C8y C 26.2500 -19.0400
9 C5a C 19.1800 -19.0400
10 N1b N 17.9200 -18.3400
11 C8y C 16.7300 -19.0400
12 C1a C 21.4900 -20.5800
13 O5a O 23.7828 -20.4399
14 O5a O 19.1972 -20.4399
15 C8y C 26.2386 -20.4400
16 O7x O 27.4453 -21.1498
17 C8y C 28.6634 -20.4597
18 C8y C 28.6048 -19.0597
19 C8y C 27.4681 -18.3499
20 C8y C 15.5119 -18.3499
21 C8y C 14.3752 -19.0597
22 C8y C 14.3166 -20.4597
23 O7x O 15.5347 -21.1498
24 C8y C 16.7414 -20.4400
25 C8x C 13.1931 -18.3096
26 C8x C 11.8825 -18.9582
27 C8y C 11.8938 -20.3582
28 C8y C 13.0759 -21.1083
29 C8y C 29.9040 -21.1084
30 C8y C 31.0861 -20.3583
31 C8x C 31.0975 -18.9583
32 C8x C 29.7869 -18.3096
33 O6a O 25.0292 -21.1253
34 C1a C 29.8942 -22.5380
35 O1a O 32.3104 -21.0379
36 C1a C 13.0857 -22.5380
37 O6a O 17.9508 -21.1252
38 O1a O 10.6695 -21.0378
39 O1a O 15.5516 -16.9412
40 O1a O 27.4284 -16.9412
BOND 44
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 1
9 1 9 1
10 9 10 1
11 10 11 1
12 5 12 1
13 6 13 2
14 9 14 2
15 8 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 8 19 2
21 11 20 2
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 11 24 1
27 21 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 22 28 2
32 17 29 2
33 29 30 1
34 30 31 2
35 31 32 1
36 18 32 2
37 15 33 2
38 29 34 1
39 30 35 1
40 28 36 1
41 24 37 2
42 27 38 1
43 20 39 1
44 19 40 1
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