ATOM 44
1 C2b C 25.1755 -23.3536
2 C1b C 26.3768 -22.6631
3 C1c C 27.5781 -23.3536
4 C2c C 23.9742 -22.6631
5 C1a C 22.7730 -23.3536
6 C1a C 23.9742 -21.4148
7 C1a C 26.3901 -25.5676
8 C2c C 27.5914 -24.8700
9 C2a C 28.7998 -25.5676
10 C1b C 32.1760 -20.5832
11 C2b C 32.1701 -21.9526
12 C2c C 33.3527 -22.6348
13 C1a C 33.3468 -24.0040
14 C1a C 34.5297 -21.9467
15 C1b C 29.9875 -16.3435
16 C2b C 31.1119 -15.6447
17 C2c C 31.1119 -14.2580
18 C1a C 32.3179 -13.5641
19 C1a C 29.9059 -13.5582
20 C1z C 29.9270 -17.7249
21 C8y C 25.1872 -18.6931
22 C5a C 26.3884 -17.9955
23 C2y C 27.5897 -18.6931
24 O5a O 26.3884 -16.6072
25 C8x C 23.9859 -17.9955
26 C8y C 22.7846 -18.6931
27 C8y C 22.7846 -20.0813
28 C8x C 23.9859 -20.7718
29 C8x C 25.1872 -20.0813
30 O1a O 21.5833 -17.9955
31 O1a O 21.5833 -20.7718
32 C1z C 30.8940 -18.6931
33 C5x C 29.9212 -19.6481
34 C1y C 30.8940 -20.0564
35 C1z C 28.5637 -21.0233
36 O5x O 28.7678 -19.1524
37 C1x C 29.9270 -21.0233
38 C2y C 27.5897 -20.0564
39 C1b C 28.5578 -22.3867
40 C5x C 28.5585 -17.7276
41 O5x O 28.0244 -16.4458
42 O1a O 26.4698 -20.7946
43 C1a C 31.8717 -17.2932
44 C1a C 32.1533 -18.6992
BOND 46
1 12 13 1
2 12 14 1
3 7 8 1
4 8 9 2
5 21 25 2
6 25 26 1
7 26 27 2
8 27 28 1
9 28 29 2
10 29 21 1
11 4 5 1
12 26 30 1
13 2 3 1
14 27 31 1
15 20 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 17 19 1
20 4 6 1
21 1 2 1
22 1 4 2
23 20 32 1
24 20 33 1 #Up
25 20 40 1
26 32 34 1
27 35 33 1 #Up
28 33 36 2
29 34 37 1
30 35 38 1
31 35 39 1
32 39 3 1
33 35 37 1
34 23 38 2
35 21 22 1
36 23 40 1
37 10 11 1
38 40 41 2
39 22 23 1
40 38 42 1
41 11 12 2
42 32 43 1
43 22 24 2
44 32 44 1
45 34 10 1 #Down
46 3 8 1 #Up
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