ATOM 42
1 C8y C 27.9300 -24.0100
2 C8y C 27.9300 -25.4100
3 C1x C 29.1424 -26.1100
4 C1y C 30.3549 -25.4100
5 C1y C 30.3549 -24.0100
6 O2x O 29.1424 -23.3100
7 C8y C 26.7176 -23.3100
8 C8y C 25.5051 -24.0100
9 C8x C 25.5051 -25.4100
10 C8y C 26.7176 -26.1100
11 O1a O 31.5860 -26.1210
12 O1a O 26.7176 -27.5098
13 O1a O 24.2740 -23.2990
14 C1c C 26.7176 -21.9102
15 C8y C 27.9468 -21.2003
16 C1c C 25.5220 -21.2198
17 C8x C 29.1508 -21.8954
18 C8x C 30.3632 -21.1954
19 C8y C 30.3631 -19.7954
20 C8y C 29.1592 -19.1003
21 C8x C 27.9468 -19.8003
22 C8y C 31.5860 -23.2990
23 C8x C 32.7912 -23.9947
24 C8x C 34.0035 -23.2946
25 C8y C 34.0035 -21.8946
26 C8y C 32.7983 -21.1989
27 C8x C 31.5859 -21.8990
28 C1b C 24.3348 -21.9052
29 O1a O 25.5218 -19.8103
30 C8y C 23.1434 -21.2172
31 C8y C 23.1434 -19.8103
32 C8x C 21.9310 -19.1103
33 C8y C 20.7185 -19.8103
34 C8x C 20.7185 -21.2173
35 C8y C 21.9310 -21.9173
36 O1a O 19.5071 -19.1109
37 O1a O 21.9309 -23.3098
38 O1a O 24.3757 -19.0985
39 O1a O 29.1594 -17.7103
40 O1a O 31.5817 -19.0917
41 O1a O 32.7985 -19.8104
42 O1a O 35.2214 -21.1912
BOND 46
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 4 11 1 #Up
13 10 12 1
14 8 13 1
15 7 14 1
16 14 15 1 #Down
17 14 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 15 21 2
24 5 22 1 #Down
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 22 27 2
31 16 28 1
32 16 29 1 #Down
33 28 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 33 36 1
41 35 37 1
42 31 38 1
43 20 39 1
44 19 40 1
45 26 41 1
46 25 42 1
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