ATOM 45
1 X I 18.5500 -21.5600
2 X I 19.9500 -21.5600
3 C8y C 26.8100 -18.7600
4 C8x C 26.8100 -20.1600
5 C8x C 28.0224 -20.8600
6 C8y C 29.2349 -20.1600
7 C8x C 29.2349 -18.7600
8 C8x C 28.0224 -18.0600
9 C1b C 25.5976 -18.0600
10 C1b C 24.4021 -18.7504
11 C1b C 23.2147 -18.0649
12 C1b C 22.0235 -18.7529
13 C1b C 20.8340 -18.0662
14 C1b C 19.6439 -18.7535
15 C1b C 18.4538 -18.0665
16 C1b C 17.2640 -18.7537
17 C1a C 16.0738 -18.0666
18 O2a O 30.4660 -20.8710
19 C1b C 31.6712 -20.1753
20 C1b C 32.8535 -20.8581
21 O1a O 34.0475 -20.1688
22 O2a O 30.4660 -20.8710
23 C1b C 31.6712 -20.1753
24 C1b C 32.8535 -20.8581
25 O2a O 30.4660 -20.8710
26 C1b C 31.6712 -20.1753
27 C1b C 32.8535 -20.8581
28 O2a O 30.4660 -20.8710
29 C1b C 31.6712 -20.1753
30 C1b C 32.8535 -20.8581
31 O2a O 30.4660 -20.8710
32 C1b C 31.6712 -20.1753
33 C1b C 32.8535 -20.8581
34 O2a O 30.4660 -20.8710
35 C1b C 31.6712 -20.1753
36 C1b C 32.8535 -20.8581
37 O2a O 30.4660 -20.8710
38 C1b C 31.6712 -20.1753
39 C1b C 32.8535 -20.8581
40 O2a O 30.4660 -20.8710
41 C1b C 31.6712 -20.1753
42 C1b C 32.8535 -20.8581
43 O2a O 30.4660 -20.8710
44 C1b C 31.6712 -20.1753
45 C1b C 32.8535 -20.8581
BOND 44
1 1 2 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 7 1
6 7 8 2
7 3 8 1
8 3 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 6 18 1
18 18 19 1
19 19 20 1
20 20 22 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 37 38 1
37 38 39 1
38 39 40 1
39 40 41 1
40 41 42 1
41 42 43 1
42 43 44 1
43 44 45 1
44 45 21 1
BRACKET 1 29.7500 -22.1200 29.7500 -18.9000
1 33.2500 -18.9000 33.2500 -22.1200
1 9
ORIGINAL 1 18 19 20
REPEAT 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37
1 38 39 40 41 42 43 44 45
2 17.7800 -22.6100 17.7800 -20.5800
2 20.5800 -20.5800 20.5800 -22.6100
2 n
ORIGINAL 2 1 2
REPEAT 2
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