ATOM 45
1 C1z C 32.0861 -23.2919
2 O2a O 30.4134 -22.5226
3 O2x O 32.5116 -24.5917
4 C1b C 32.0687 -21.6948
5 C1y C 33.1937 -22.4876
6 C1y C 29.1485 -23.3328
7 C1y C 33.8755 -24.5917
8 O2a O 30.9612 -20.5290
9 C1y C 34.3010 -23.2919
10 O1a O 33.1937 -21.1177
11 O2x O 27.9769 -22.6450
12 C1y C 29.1485 -24.6967
13 C1b C 34.6741 -25.6993
14 C1y C 30.9553 -19.0369
15 O1a O 35.6009 -22.8723
16 C1y C 26.7877 -23.3328
17 C1y C 27.9769 -25.3786
18 O1a O 30.3375 -25.3786
19 O1a O 36.0380 -25.5536
20 C1y C 29.7721 -18.3491
21 O2x O 32.1328 -18.3491
22 C1b C 25.5988 -22.6450
23 C1y C 26.7877 -24.6967
24 O1a O 27.9769 -26.7485
25 C1y C 29.7721 -16.9852
26 O1a O 28.5831 -19.0369
27 C1y C 32.1328 -16.9852
28 O2a O 24.4213 -23.3269
29 O1a O 25.5988 -25.3786
30 C1y C 30.9553 -16.3031
31 O1a O 28.5831 -16.3031
32 C1b C 33.3160 -16.3031
33 C1y C 23.0166 -24.3644
34 O1a O 30.9553 -14.9334
35 O2x O 21.8333 -23.6825
36 C1y C 23.0166 -25.7283
37 C1y C 20.6501 -24.3644
38 C1y C 21.8333 -26.4104
39 O1a O 24.1998 -26.4104
40 C1y C 20.6501 -25.7283
41 C1b C 19.4609 -23.6766
42 O1a O 21.8333 -27.7801
43 O1a O 19.4609 -26.4104
44 O1a O 18.2777 -24.3644
45 O1a O 34.6683 -16.6655
BOND 48
1 1 2 1 #Up
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 6 2 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 6 12 1
12 7 13 1 #Up
13 14 8 1 #Down
14 9 15 1 #Down
15 11 16 1
16 12 17 1
17 12 18 1 #Down
18 13 19 1
19 14 20 1
20 14 21 1
21 16 22 1 #Up
22 16 23 1
23 17 24 1 #Up
24 20 25 1
25 20 26 1 #Down
26 21 27 1
27 22 28 1
28 23 29 1 #Down
29 25 30 1
30 25 31 1 #Up
31 27 32 1 #Up
32 33 28 1 #Down
33 30 34 1 #Up
34 33 35 1
35 33 36 1
36 35 37 1
37 36 38 1
38 36 39 1 #Down
39 37 40 1
40 37 41 1 #Up
41 38 42 1 #Up
42 40 43 1 #Up
43 41 44 1
44 7 9 1
45 17 23 1
46 27 30 1
47 38 40 1
48 32 45 1
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