ATOM 39
1 C8y C 19.2500 -14.4200
2 C8y C 19.2500 -15.8200
3 C8x C 20.4624 -16.5200
4 C8x C 21.6749 -15.8200
5 C8x C 21.6749 -14.4200
6 C8x C 20.4624 -13.7200
7 C8y C 18.0376 -13.7200
8 N4y N 16.8251 -14.4200
9 C8y C 16.8251 -15.8200
10 N5x N 18.0376 -16.5200
11 C8y C 15.5940 -13.7090
12 C8y C 15.5943 -12.3201
13 C8x C 14.3820 -11.6198
14 C8x C 13.1694 -12.3195
15 C8x C 13.1691 -13.7084
16 C8x C 14.3814 -14.4087
17 O2a O 16.8187 -11.6135
18 C1b C 16.8187 -10.2135
19 C1a C 18.0143 -9.5232
20 O5x O 18.0376 -12.3202
21 C1c C 15.5940 -16.5310
22 C1a C 14.3888 -15.8353
23 N1y N 15.5943 -17.9199
24 C1x C 14.3938 -18.6134
25 C1x C 14.3941 -20.0134
26 N1y N 15.6067 -20.7131
27 C1x C 16.8072 -20.0196
28 C1x C 16.8069 -18.6196
29 C5a C 15.6071 -22.1200
30 C1b C 16.8219 -22.8210
31 O5a O 14.3970 -22.8190
32 O2a O 18.0181 -22.1298
33 C8y C 19.2054 -22.8149
34 C8x C 19.2058 -24.2198
35 C8x C 20.4185 -24.9194
36 C8y C 21.6307 -24.2190
37 C8x C 21.6302 -22.8141
38 C8x C 20.4176 -22.1145
39 X Cl 22.8433 -24.9185
BOND 43
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 2 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 12 17 1
20 17 18 1
21 18 19 1
22 7 20 2
23 9 21 1
24 21 22 1
25 21 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 26 29 1
33 29 30 1
34 29 31 2
35 30 32 1
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 36 37 1
41 37 38 2
42 33 38 1
43 36 39 1
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