ATOM 23
1 C1z C 28.1837 -21.7054
2 O2x O 27.0475 -21.0142
3 C1y C 26.9856 -22.4117
4 C8y C 28.1722 -19.4110
5 C1b C 29.3327 -22.3917
6 C8x C 29.3268 -18.7409
7 C8x C 27.0002 -18.7409
8 C8y C 25.7975 -21.6969
9 N4y N 30.5049 -21.7086
10 C8x C 29.3268 -17.3994
11 C8x C 27.0002 -17.3994
12 C8y C 24.6020 -22.3858
13 C8x C 25.8092 -20.3145
14 C8x C 30.6334 -20.3729
15 N5x N 31.7238 -22.2632
16 C8y C 28.1722 -16.7163
17 C8x C 23.4064 -21.6981
18 X Cl 24.6020 -23.7681
19 C8x C 24.6077 -19.6212
20 N5x N 31.9514 -20.0941
21 C8x C 32.6402 -21.2661
22 X F 28.1722 -15.3633
23 C8x C 23.4064 -20.3087
BOND 26
1 1 2 1
2 1 3 1
3 3 2 1
4 1 4 1 #Down
5 1 5 1
6 4 6 2
7 4 7 1
8 3 8 1 #Up
9 5 9 1
10 6 10 1
11 7 11 2
12 8 12 1
13 8 13 2
14 9 14 1
15 9 15 1
16 10 16 2
17 12 17 2
18 12 18 1
19 13 19 1
20 14 20 2
21 15 21 2
22 16 22 1
23 17 23 1
24 11 16 1
25 19 23 2
26 20 21 1
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