ATOM 27
1 C8x C 24.6400 -16.4500
2 C8x C 24.6400 -17.8500
3 C8x C 25.8300 -18.5500
4 C8y C 27.0200 -17.8500
5 C8y C 27.0200 -16.4500
6 C8y C 25.8300 -15.7500
7 N5x N 28.2800 -18.5500
8 C8y C 29.4700 -17.8500
9 C8y C 29.4700 -16.4500
10 C8x C 28.2800 -15.7500
11 C8y C 30.8000 -18.2700
12 N4y N 31.6400 -17.1500
13 C1x C 30.8000 -16.0300
14 C8y C 32.9700 -17.1500
15 C8y C 33.6700 -18.3400
16 C8y C 33.0400 -19.5300
17 C8x C 31.5700 -19.5300
18 C1z C 33.7400 -20.7200
19 C7x C 35.0700 -20.7200
20 O7x O 35.7000 -19.5300
21 C1x C 35.0000 -18.3400
22 O5x O 33.6700 -15.8900
23 O6a O 35.7700 -21.9800
24 C1b C 32.3400 -20.7200
25 O1a O 33.7400 -22.1900
26 C1a C 31.6400 -21.9800
27 N1a N 25.8300 -14.3500
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 12 14 1
17 14 15 1
18 15 16 2
19 16 17 1
20 16 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 15 21 1
25 17 11 2
26 14 22 2
27 19 23 2
28 18 24 1 #Down
29 18 25 1 #Up
30 24 26 1
31 6 27 1
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