ATOM 27
1 C1y C 37.5900 -25.5500
2 C1x C 37.5900 -26.9500
3 C1x C 36.4000 -27.6500
4 C1z C 35.1400 -26.9500
5 C1z C 35.1400 -25.5500
6 C1y C 36.4000 -24.8500
7 C1z C 33.8100 -27.3700
8 C1z C 33.0400 -26.2500
9 C1z C 33.8100 -25.1300
10 C1x C 31.7100 -25.8300
11 C2y C 31.7100 -24.4300
12 C2y C 33.0400 -23.9400
13 O1a O 36.4000 -23.3800
14 C1a C 38.7800 -24.8500
15 O1a O 35.1400 -28.3500
16 C1a C 34.0200 -28.8400
17 O7x O 34.0200 -26.1800
18 C1x C 33.0400 -28.6300
19 C7x C 32.5500 -28.0700
20 O6a O 31.3600 -28.0700
21 C1a C 33.0400 -22.5400
22 C1c C 30.5200 -23.6600
23 C1b C 29.3300 -24.4300
24 O1a O 28.1400 -23.6600
25 C1a C 30.5200 -22.2600
26 O1a O 34.6500 -24.1500
27 O1a O 32.3400 -27.1600
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 2
14 9 12 1
15 6 13 1 #Down
16 1 14 1 #Up
17 4 15 1 #Up
18 7 16 1 #Up
19 5 17 1 #Down
20 7 18 1 #Down
21 17 19 1
22 19 18 1
23 19 20 2
24 12 21 1
25 22 23 1
26 22 11 1
27 23 24 1
28 22 25 1
29 9 26 1 #Up
30 8 27 1 #Up
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