ATOM 44
1 X Cl 25.8300 -8.6100
2 C1x C 8.4000 -7.7000
3 C1x C 8.4000 -9.1700
4 C2y C 9.5900 -9.8700
5 C2y C 10.8500 -9.1700
6 C1x C 10.8500 -7.7000
7 N1y N 9.5900 -7.0000
8 C1z C 9.5900 -11.2700
9 O2x O 10.8500 -11.9700
10 C8y C 12.0400 -11.2700
11 C8y C 12.0400 -9.8700
12 C8x C 13.3000 -11.9700
13 C8y C 14.4900 -11.2700
14 C8x C 14.4900 -9.8700
15 C8y C 13.3000 -9.1700
16 C1a C 8.4000 -11.9700
17 C1a C 9.5900 -12.6700
18 C1b C 9.5900 -5.6000
19 C3b C 8.4000 -4.9000
20 O7a O 13.3000 -7.7000
21 C7a C 14.4900 -7.0700
22 C1c C 15.6800 -7.7000
23 O6a O 14.4900 -5.6000
24 C1b C 16.8700 -7.0700
25 C1b C 18.0600 -7.7000
26 N1y N 19.2500 -7.0000
27 C1y C 20.4400 -7.7000
28 C1x C 21.7000 -7.0000
29 C1x C 21.7000 -5.6000
30 C1x C 20.4400 -4.9000
31 C1x C 19.2500 -5.6000
32 C1c C 15.7500 -11.9700
33 C1c C 16.9400 -11.2700
34 C1b C 18.1300 -11.9700
35 C1b C 19.3200 -11.2700
36 C1b C 20.5100 -11.9700
37 C1b C 21.7000 -11.2700
38 C1a C 22.8900 -11.9700
39 C1a C 15.7500 -13.3700
40 C1a C 16.9400 -9.8700
41 C3a C 7.1400 -4.2000
42 C1a C 15.6800 -9.1000
43 C1a C 20.4228 -9.0999
44 X Cl 25.8300 -8.6100
BOND 45
1 2 3 1
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 1
6 2 7 1
7 4 8 1
8 8 9 1
9 9 10 1
10 10 11 2
11 5 11 1
12 10 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 11 15 1
17 8 16 1
18 8 17 1
19 7 18 1
20 18 19 1
21 15 20 1
22 20 21 1
23 21 22 1
24 21 23 2
25 22 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 26 31 1
34 13 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 32 39 1
42 33 40 1
43 19 41 3
44 22 42 1
45 27 43 1
BRACKET 1 23.9400 -9.3800 23.9400 -7.6300
1 26.8100 -7.6300 26.8100 -9.3800
1 2
ORIGINAL 1 1
REPEAT 1 44
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