ATOM 30
1 C1y C 20.3700 -22.7500
2 C1y C 21.7700 -22.7500
3 C1x C 22.1900 -21.4200
4 O2x O 21.0700 -20.5800
5 C1y C 19.9500 -21.4200
6 C8y C 16.3100 -19.3200
7 C8y C 16.3100 -20.7200
8 C8x C 17.5000 -21.4200
9 C8y C 18.7600 -20.7200
10 C8x C 18.7600 -19.3200
11 C8x C 17.5000 -18.6200
12 O1a O 17.9900 -22.7500
13 C1b C 19.1800 -23.4500
14 C1c C 22.9600 -23.4500
15 C8y C 24.1500 -22.7500
16 C8x C 25.3681 -23.4401
17 C8y C 26.5048 -22.7303
18 C8y C 26.5634 -21.3303
19 C8x C 25.3453 -20.6402
20 C8x C 24.1386 -21.3500
21 O2a O 22.9600 -24.8500
22 C1a C 21.7476 -25.5500
23 O2a O 15.0947 -18.6249
24 C1a C 13.9063 -19.3177
25 O2a O 27.7536 -20.6697
26 C1a C 28.9206 -21.3700
27 O2a O 27.7421 -23.4505
28 C1a C 28.9405 -22.7641
29 O2a O 15.0947 -21.4151
30 C1a C 13.9063 -20.7223
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 9 5 1
13 12 13 1
14 13 1 1
15 2 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 14 21 1
24 21 22 1
25 6 23 1
26 23 24 1
27 18 25 1
28 25 26 1
29 17 27 1
30 27 28 1
31 7 29 1
32 29 30 1
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