ATOM 32
1 C1z C 29.3300 -22.0500
2 C1y C 28.1400 -21.3500
3 C1y C 30.5900 -21.4200
4 C1y C 29.3300 -23.5200
5 C1a C 29.3300 -20.7200
6 C1z C 27.0200 -22.0500
7 C1y C 28.1400 -19.9500
8 C1z C 30.5900 -20.0200
9 C1x C 31.7800 -22.1200
10 C1x C 28.1400 -24.1500
11 O7x O 30.5900 -24.1500
12 C1y C 27.0200 -23.5200
13 C5x C 25.8300 -21.3500
14 C1a C 27.0200 -20.6500
15 C1y C 29.3300 -19.1800
16 C7x C 31.7800 -23.5900
17 C1y C 25.8300 -24.1500
18 C2y C 24.5000 -22.0500
19 O5x O 25.8300 -19.9500
20 O6a O 32.9700 -24.2200
21 C2x C 24.5000 -23.5200
22 C1a C 25.8300 -25.5500
23 O2a O 23.3800 -21.3500
24 O7a O 27.2300 -18.9000
25 O2a O 29.3300 -17.8500
26 C1a C 22.1900 -22.0500
27 C1a C 30.5200 -17.1500
28 C7a C 27.2300 -17.5000
29 O6a O 28.4900 -16.7300
30 C1a C 26.0400 -16.8000
31 C1a C 31.8243 -19.3594
32 O1a O 31.7021 -20.8704
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 9 16 1
16 12 17 1
17 13 18 1
18 13 19 2
19 16 20 2
20 17 21 1
21 17 22 1 #Down
22 8 15 1
23 10 12 1
24 11 16 1
25 18 21 2
26 18 23 1
27 7 24 1 #Down
28 15 25 1 #Up
29 23 26 1
30 25 27 1
31 24 28 1
32 28 29 2
33 28 30 1
34 8 31 1 #Down
35 8 32 1 #Up
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