ATOM 30
1 C8y C 12.8100 -16.8700
2 C8y C 12.8100 -18.2700
3 C8x C 14.0224 -18.9700
4 C8y C 15.2349 -18.2700
5 C8y C 15.2349 -16.8700
6 C8x C 14.0224 -16.1700
7 C8y C 16.4473 -18.9700
8 C8x C 17.6597 -18.2700
9 C8y C 17.6597 -16.8700
10 O7x O 16.4473 -16.1700
11 O6a O 18.8573 -16.1785
12 C1a C 16.4473 -20.3700
13 O2a O 11.5976 -16.1700
14 C1b C 10.4021 -16.8604
15 O2a O 11.5976 -18.9700
16 C1b C 10.4021 -18.2796
17 C1b C 9.2147 -18.9651
18 C1b C 9.2147 -16.1749
19 N1c N 9.2145 -14.7702
20 N1c N 9.2145 -20.3698
21 C1b C 8.0212 -14.0812
22 C1b C 10.4460 -14.0589
23 C1a C 11.6512 -14.7546
24 C1a C 6.8353 -14.7660
25 C1b C 8.0212 -21.0588
26 C1b C 10.4460 -21.0811
27 C1a C 6.8353 -20.3740
28 C1a C 11.6512 -20.3854
29 X Cl 21.7700 -19.0400
30 X Cl 21.7700 -19.0400
BOND 29
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 2
13 7 12 1
14 1 13 1
15 13 14 1
16 2 15 1
17 15 16 1
18 16 17 1
19 14 18 1
20 18 19 1
21 17 20 1
22 19 21 1
23 19 22 1
24 22 23 1
25 21 24 1
26 20 25 1
27 20 26 1
28 25 27 1
29 26 28 1
BRACKET 1 20.2300 -19.8800 20.2300 -18.1300
1 22.6100 -18.1300 22.6100 -19.8800
1 2
ORIGINAL 1 29
REPEAT 1 30
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