ATOM 40
1 C2y C 12.5065 -20.5795
2 C2b C 13.7189 -19.8796
3 C2b C 14.9312 -20.5795
4 C2c C 16.1437 -19.8796
5 C2b C 17.3560 -20.5795
6 C2b C 18.5684 -19.8796
7 C2b C 19.7808 -20.5795
8 C2c C 20.9932 -19.8796
9 C2b C 22.2056 -20.5795
10 C2b C 23.4180 -19.8796
11 C2b C 24.6303 -20.5795
12 C2b C 25.8428 -19.8796
13 C2c C 27.0552 -20.5795
14 C2b C 28.2675 -19.8796
15 C2b C 29.4800 -20.5795
16 C2b C 30.6923 -19.8796
17 C2c C 31.9047 -20.5795
18 C1b C 33.1171 -19.8796
19 C1b C 34.3295 -20.5795
20 C2b C 35.5418 -19.8796
21 C2c C 36.7543 -20.5795
22 C1b C 37.9666 -19.8796
23 C1b C 39.1790 -20.5795
24 C2b C 40.3914 -19.8796
25 C2c C 41.6038 -20.5795
26 C1a C 42.8162 -19.8796
27 C1z C 11.2932 -19.8796
28 C1x C 10.0810 -20.5799
29 C1x C 10.0815 -21.9799
30 C1x C 11.2948 -22.6799
31 C2y C 12.5069 -21.9795
32 C1a C 13.7192 -22.6789
33 C1a C 11.9932 -18.6663
34 C1a C 10.5932 -18.6663
35 C1a C 16.1437 -18.4796
36 C1a C 20.9932 -18.4796
37 C1a C 27.0552 -21.9795
38 C1a C 31.9047 -21.9794
39 C1a C 36.7543 -21.9794
40 C1a C 41.6038 -21.9793
BOND 40
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 2
25 25 26 1
26 1 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 1 31 2
32 31 32 1
33 27 33 1
34 27 34 1
35 4 35 1
36 8 36 1
37 13 37 1
38 17 38 1
39 21 39 1
40 25 40 1
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