ATOM 30
1 C6a C 38.8500 -18.2000
2 C2b C 38.1500 -17.0800
3 O6a O 38.1500 -19.3900
4 O6a O 40.1800 -18.2000
5 C2b C 36.4700 -17.0800
6 C6a C 35.7700 -18.2000
7 O6a O 34.3700 -18.2000
8 O6a O 36.4700 -19.3900
9 C1x C 26.3900 -20.7200
10 C8y C 25.5500 -19.6000
11 C8y C 25.9000 -18.2700
12 N1y N 27.1600 -17.7100
13 C1x C 27.7900 -20.7200
14 C8y C 28.4200 -18.3400
15 C8y C 28.7000 -19.6700
16 C8x C 24.8500 -17.2900
17 C8x C 23.4500 -17.7100
18 C8x C 23.1000 -19.0400
19 C8x C 24.2200 -20.0200
20 C8x C 30.0300 -20.0900
21 C8x C 31.0800 -19.1800
22 C8x C 30.8000 -17.7800
23 C8x C 29.4700 -17.3600
24 C1b C 27.1600 -16.3100
25 C1c C 28.3500 -15.6100
26 C1b C 29.5400 -16.3100
27 C1a C 28.3500 -14.2100
28 N1c N 30.7300 -15.6100
29 C1a C 31.9200 -16.3100
30 C1a C 30.7300 -14.2100
BOND 31
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 5 6 1
6 6 7 1
7 6 8 2
8 11 12 1
9 9 13 1
10 12 14 1
11 10 11 1
12 13 15 1
13 9 10 1
14 14 15 1
15 11 16 2
16 16 17 1
17 17 18 2
18 18 19 1
19 10 19 2
20 15 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 14 23 2
25 12 24 1
26 24 25 1
27 25 26 1
28 25 27 1
29 26 28 1
30 28 29 1
31 28 30 1
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