ATOM 25
1 C1x C 20.9300 -21.4900
2 C5x C 20.9300 -22.8900
3 C2y C 22.1900 -23.5200
4 C2y C 23.3100 -22.8900
5 C1z C 23.3100 -21.4900
6 C1x C 22.1900 -20.8600
7 C1x C 24.5000 -23.5200
8 C1x C 25.6900 -22.8900
9 C1y C 25.6900 -21.4900
10 C1y C 24.5000 -20.8600
11 C1y C 26.8800 -20.8600
12 C1z C 26.8800 -19.4600
13 C1x C 25.6900 -18.7600
14 C1x C 24.5000 -19.4600
15 O5x O 19.7400 -23.5200
16 C1a C 23.3100 -20.1600
17 C1a C 26.8800 -18.1300
18 X Cl 22.1900 -24.9200
19 C1x C 29.2600 -20.8600
20 C1x C 29.2600 -19.4600
21 C1y C 28.0700 -18.7600
22 O7a O 28.0700 -17.4300
23 C7a C 29.2600 -16.7300
24 C1a C 30.4500 -17.4300
25 O6a O 29.2600 -15.3300
BOND 28
1 1 2 1
2 2 3 1
3 3 4 2
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 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 2
18 5 16 1 #Up
19 12 17 1 #Up
20 3 18 1
21 11 19 1
22 19 20 1
23 20 21 1
24 12 21 1
25 21 22 1 #Up
26 22 23 1
27 23 24 1
28 23 25 2
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