ATOM 46
1 C1c C 27.6667 -13.8705
2 C1b C 30.0477 -13.8705
3 C1c C 28.8572 -13.1702
4 C1b C 32.4988 -13.8705
5 C1c C 31.3083 -13.1702
6 C1b C 34.9499 -13.8705
7 C1c C 33.7594 -13.1702
8 C1b C 37.4009 -13.8705
9 C1c C 36.1404 -13.1702
10 C1c C 39.8520 -15.2711
11 C1b C 39.8520 -13.8705
12 C1c C 38.5915 -13.1702
13 C1c C 26.4061 -13.1702
14 C1b C 25.2156 -13.8705
15 O1a O 38.5915 -11.7696
16 O1a O 36.1404 -11.7696
17 O1a O 33.7594 -11.7696
18 O1a O 31.3083 -11.7696
19 O1a O 28.8572 -11.7696
20 C1b C 41.0425 -15.9714
21 O1a O 26.4061 -11.7696
22 C1b C 24.0251 -13.1702
23 C1b C 22.8346 -13.8705
24 C1b C 21.6440 -13.1702
25 C1a C 20.4535 -13.8705
26 O7a O 26.4062 -15.9714
27 O1a O 38.5915 -15.9714
28 C1c C 41.0425 -17.3720
29 C2c C 39.7820 -18.0723
30 C2b C 38.5915 -17.3720
31 C1a C 39.7820 -19.4730
32 O1a O 42.2331 -18.0723
33 C2b C 37.4009 -18.0723
34 C2b C 36.2104 -17.3720
35 C2b C 35.0199 -18.0723
36 C2b C 33.8294 -17.3720
37 C2b C 32.6389 -18.0723
38 C2b C 31.3783 -17.3720
39 C2b C 30.1878 -18.0723
40 C2b C 28.9973 -17.3720
41 C1c C 27.6667 -18.0723
42 C1c C 26.4061 -17.3720
43 C1a C 25.2856 -18.1424
44 O1a O 27.6667 -19.4730
45 C7a C 27.6667 -15.2711
46 O6a O 28.8572 -15.9714
BOND 46
1 2 3 1
2 1 3 1
3 4 5 1
4 2 5 1
5 6 7 1
6 4 7 1
7 8 9 1
8 6 9 1
9 10 11 1
10 11 12 1
11 8 12 1
12 1 13 1
13 13 14 1
14 12 15 1 #Up
15 9 16 1 #Up
16 7 17 1 #Up
17 5 18 1 #Up
18 3 19 1 #Up
19 10 20 1
20 13 21 1 #Up
21 14 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 10 27 1 #Down
26 20 28 1
27 28 29 1
28 29 30 2
29 29 31 1
30 28 32 1 #Down
31 30 33 1
32 33 34 2
33 34 35 1
34 35 36 2
35 36 37 1
36 37 38 2
37 38 39 1
38 39 40 2
39 40 41 1
40 41 42 1
41 26 42 1
42 42 43 1 #Up
43 41 44 1 #Down
44 1 45 1
45 45 26 1
46 45 46 2
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