ATOM 33
1 C1a C 25.2823 -17.2555
2 C1b C 26.4308 -17.9185
3 C1b C 27.6455 -17.2555
4 C1b C 28.7939 -17.9185
5 N1d N 30.0087 -17.2555 #+
6 C1b C 31.5549 -17.9185
7 C1b C 32.7033 -17.2555
8 C1b C 33.8518 -17.9185
9 C1a C 35.0002 -17.2555
10 C1b C 30.0087 -15.9297
11 C1a C 30.0087 -19.5098
12 C1b C 31.1768 -15.2550
13 C1b C 31.1765 -13.9403
14 Z Si 32.3140 -13.2832
15 O2a O 33.6025 -12.6201
16 O2a O 31.6424 -12.1196
17 O2a O 32.9683 -14.4163
18 C1a C 34.2784 -14.4163
19 C1a C 33.6025 -11.2882
20 C1a C 30.3006 -12.1192
21 X Cl 28.6426 -15.5315 #-
22 C1b C 27.6455 -17.2555
23 C1b C 28.7939 -17.9185
24 C1b C 27.6455 -17.2555
25 C1b C 28.7939 -17.9185
26 C1b C 27.6455 -17.2555
27 C1b C 28.7939 -17.9185
28 C1b C 31.5549 -17.9185
29 C1b C 32.7033 -17.2555
30 C1b C 31.5549 -17.9185
31 C1b C 32.7033 -17.2555
32 C1b C 31.5549 -17.9185
33 C1b C 32.7033 -17.2555
BOND 31
1 1 2 1
2 8 9 1
3 5 10 1
4 5 11 1
5 10 12 1
6 12 13 1
7 13 14 1
8 14 15 1
9 14 16 1
10 14 17 1
11 17 18 1
12 15 19 1
13 16 20 1
14 4 5 1
15 3 4 1
16 3 23 1
17 22 23 1
18 22 25 1
19 24 25 1
20 24 27 1
21 26 27 1
22 26 2 1
23 5 6 1
24 6 7 1
25 7 28 1
26 28 29 1
27 29 30 1
28 30 31 1
29 31 32 1
30 32 33 1
31 33 8 1
BRACKET 1 27.5100 -18.8300 27.5100 -16.8700
1 28.8400 -16.8700 28.8400 -18.8300
1 4
ORIGINAL 1 3 4
REPEAT 1 22 23 24 25 26 27
2 31.2900 -18.9000 31.2900 -16.9400
2 33.0400 -16.9400 33.0400 -18.9000
2 4
ORIGINAL 2 6 7
REPEAT 2 28 29 30 31 32 33
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