ATOM 38
1 C1x C 26.4244 -21.7633
2 C1y C 26.4244 -23.1392
3 C1x C 27.6160 -23.8272
4 C1y C 28.8077 -23.1392
5 C1z C 28.8077 -21.7633
6 C1x C 27.6160 -21.0753
7 C1x C 29.9993 -23.8272
8 C1x C 31.1908 -23.1392
9 C1y C 31.1908 -21.7633
10 C1y C 29.9993 -21.0753
11 C1z C 32.3825 -21.0753
12 C1z C 32.3825 -19.6993
13 C1x C 31.1908 -19.0114
14 C1y C 29.9993 -19.6993
15 C1x C 34.7657 -21.0753
16 C1x C 34.7657 -19.6993
17 C1y C 33.5741 -19.0114
18 C1a C 32.3825 -18.3234
19 C1a C 28.8077 -20.3873
20 O1a O 32.3825 -22.4512
21 C2y C 33.5741 -17.6354
22 C1x C 34.6908 -16.8241
23 O7x O 34.2642 -15.5114
24 C7x C 32.8840 -15.5114
25 C2x C 32.4575 -16.8241
26 O6a O 32.0736 -14.3961
27 O2a O 25.2328 -23.8272
28 C1y C 24.0412 -24.5152
29 O2x O 22.8312 -23.8164
30 C1y C 21.6395 -24.5042
31 C1y C 21.6393 -25.8801
32 C1y C 22.8493 -26.5789
33 C1y C 24.0410 -25.8911
34 O1a O 20.4198 -26.5841
35 C1a C 20.4300 -23.8052
36 O1a O 22.8491 -27.9551
37 O1a O 25.2140 -26.5688
38 O1a O 28.7979 -19.0053
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 5 19 1 #Up
23 11 20 1 #Up
24 17 21 1 #Up
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 21 25 2
30 24 26 2
31 2 27 1 #Up
32 28 27 1 #Up
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 28 33 1
39 31 34 1 #Up
40 30 35 1 #Down
41 32 36 1 #Down
42 33 37 1 #Down
43 14 38 1 #Up
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