ATOM 22
1 C1a C 28.2800 -17.0100
2 C1b C 27.0900 -16.3100
3 C1b C 25.8300 -17.0100
4 C1b C 24.6400 -16.3100
5 N1c N 23.4500 -17.0100
6 C1a C 22.2600 -16.3100
7 C1a C 23.4500 -18.4100
8 X Cl 31.4300 -17.1500
9 C1b C 25.8300 -17.0100
10 C1b C 24.6400 -16.3100
11 C1b C 25.8300 -17.0100
12 C1b C 24.6400 -16.3100
13 C1b C 25.8300 -17.0100
14 C1b C 24.6400 -16.3100
15 C1b C 25.8300 -17.0100
16 C1b C 24.6400 -16.3100
17 C1b C 25.8300 -17.0100
18 C1b C 24.6400 -16.3100
19 C1b C 25.8300 -17.0100
20 C1b C 24.6400 -16.3100
21 C1b C 25.8300 -17.0100
22 C1b C 24.6400 -16.3100
BOND 20
1 1 2 1
2 5 6 1
3 5 7 1
4 2 3 1
5 3 4 1
6 4 9 1
7 9 10 1
8 10 11 1
9 11 12 1
10 12 13 1
11 13 14 1
12 14 15 1
13 15 16 1
14 16 17 1
15 17 18 1
16 18 19 1
17 19 20 1
18 20 21 1
19 21 22 1
20 22 5 1
BRACKET 1 24.5000 -17.7100 24.5000 -15.8900
1 26.1800 -15.8900 26.1800 -17.7100
1 8
ORIGINAL 1 3 4
REPEAT 1 9 10 11 12 13 14 15 16 17 18 19 20 21 22
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