ATOM 22
1 C8x C 25.0236 -15.5890
2 C8y C 25.0236 -16.9756
3 C8x C 26.2023 -17.6689
4 C8x C 27.4502 -16.9756
5 C8y C 27.4502 -15.5890
6 C8x C 26.2023 -14.8957
7 C1b C 28.6289 -14.8957
8 C1y C 29.8075 -15.5890
9 X Cl 23.8450 -17.6689
10 C1z C 30.2235 -16.9063
11 C1z C 31.6101 -16.9063
12 C1x C 32.0955 -15.5890
13 C1x C 30.9862 -14.7570
14 C1a C 32.9275 -17.5303
15 C1a C 31.2635 -18.2929
16 O1a O 29.0449 -17.5996
17 C1b C 30.5008 -18.0156
18 N4y N 29.1835 -19.1942
19 C8x C 29.3915 -20.5809
20 N5x N 28.1436 -21.2049
21 C8x C 27.1729 -20.2342
22 N5x N 27.7969 -18.9862
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 2 9 1
10 8 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 11 15 1
17 10 16 1
18 10 17 1
19 17 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 18 22 1
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