ATOM 28
1 C8y C 27.6500 -18.0600
2 C1y C 27.6500 -16.7300
3 C8y C 28.8400 -18.8300
4 C8y C 26.3900 -18.7600
5 C1y C 26.4600 -15.9600
6 O7a O 28.8400 -16.0300
7 C8y C 28.8400 -20.2300
8 O7x O 30.0300 -18.1300
9 O2x O 25.2000 -18.0600
10 C8x C 26.3900 -20.1600
11 C1z C 25.2000 -16.6600
12 O7a O 26.4600 -14.5600
13 C7a C 28.8400 -14.6300
14 C8x C 27.5800 -20.8600
15 C8x C 30.0300 -20.9300
16 C8y C 31.2200 -18.8300
17 C1a C 24.0100 -15.9600
18 C1a C 24.0100 -17.5700
19 C7a C 25.2700 -13.8600
20 C2b C 30.1000 -13.9300
21 O6a O 27.6500 -13.9300
22 C8x C 31.2200 -20.2300
23 O6a O 32.4800 -18.1300
24 C1a C 24.0100 -14.5600
25 O6a O 25.2700 -12.4600
26 C2c C 31.2900 -14.6300
27 C1a C 32.5500 -14.0000
28 C1a C 31.2900 -16.0300
BOND 30
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1 #Down
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Down
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 11 17 1
17 11 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 15 22 2
22 16 23 2
23 19 24 1
24 19 25 2
25 20 26 2
26 26 27 1
27 26 28 1
28 9 11 1
29 10 14 2
30 16 22 1
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