ATOM 22
1 X Br 10.9199 -18.2699 #-
2 C1c C 17.0100 -21.2100
3 C8y C 18.2224 -21.9100
4 C1b C 15.7976 -21.9100
5 C8y C 17.0100 -19.8100
6 C8x C 18.2224 -19.1100
7 C8x C 18.2224 -17.7100
8 C8x C 17.0100 -17.0100
9 C8x C 15.7976 -17.7100
10 C8x C 15.7976 -19.1100
11 C8x C 18.2224 -23.3098
12 C8x C 19.4349 -24.0098
13 C8x C 20.6473 -23.3098
14 C8x C 20.6473 -21.9100
15 C8x C 19.4349 -21.2100
16 C1c C 14.6021 -21.2196
17 N1d N 13.4147 -21.9051 #+
18 C1a C 14.6020 -19.8103
19 C1b C 12.2235 -21.2171
20 C1a C 11.0340 -21.9038
21 C1a C 13.4145 -23.3098
22 C1a C 14.6481 -22.6175
BOND 22
1 2 3 1
2 2 4 1
3 2 5 1
4 5 6 2
5 6 7 1
6 7 8 2
7 8 9 1
8 9 10 2
9 5 10 1
10 3 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 3 15 1
16 4 16 1
17 16 17 1
18 16 18 1
19 17 19 1
20 19 20 1
21 17 21 1
22 17 22 1
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