ATOM 23
1 C1x C 26.7400 -29.4700
2 C5x C 26.7400 -30.8700
3 C2x C 27.9524 -31.5700
4 C2y C 29.1649 -30.8700
5 C2y C 29.1649 -29.4700
6 C1x C 27.9524 -28.7700
7 C1x C 30.3773 -31.5700
8 C1x C 31.5897 -30.8700
9 C1y C 31.5897 -29.4700
10 C2y C 30.3773 -28.7700
11 C1y C 32.8022 -28.7700
12 C1z C 32.8022 -27.3700
13 C1x C 31.5897 -26.6700
14 C1x C 30.3773 -27.3700
15 C1x C 35.2270 -28.7700
16 C1x C 35.2270 -27.3700
17 C1z C 34.0146 -26.6700
18 O1a O 34.0146 -25.2700
19 C1a C 32.8022 -25.9700
20 C3b C 35.2270 -25.9700
21 C3b C 36.4395 -25.2700
22 X Cl 37.6519 -24.5700
23 O5x O 25.5276 -31.5700
BOND 26
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 2
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 12 19 1 #Up
23 17 20 1 #Down
24 20 21 3
25 21 22 1
26 2 23 2
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