ATOM 42
1 C8y C 27.7308 -19.0593
2 C8y C 27.7308 -20.4607
3 C8x C 28.9444 -21.1614
4 C8y C 30.1581 -20.4607
5 C8y C 30.1581 -19.0593
6 C8x C 28.9444 -18.3586
7 C1y C 31.3717 -21.1614
8 C1y C 32.5853 -20.4607
9 C1y C 32.5853 -19.0593
10 C1y C 31.3717 -18.3586
11 O2x O 26.3979 -18.6263
12 C1x C 25.5742 -19.7600
13 O2x O 26.3979 -20.8938
14 C7x C 33.9181 -20.8938
15 O7x O 34.7419 -19.7600
16 C1x C 33.9181 -18.6263
17 O6a O 34.3453 -22.2089
18 C8y C 31.3717 -22.5628
19 C8x C 30.1601 -23.2623
20 C8y C 30.1601 -24.6637
21 C8y C 31.3737 -25.3644
22 C8y C 32.5853 -24.6649
23 C8x C 32.5853 -23.2635
24 O2a O 28.9634 -25.3548
25 O2a O 33.7841 -25.3571
26 C1a C 34.9736 -24.6704
27 C1a C 27.7759 -24.6693
28 O1a O 31.3737 -26.7670
29 O2a O 31.3717 -16.9572
30 C1y C 30.1601 -16.2577
31 C1y C 30.1601 -14.8553
32 C1y C 28.9464 -14.1546
33 C1y C 27.7328 -14.8553
34 C1y C 27.7328 -16.2577
35 O2x O 28.9465 -16.9584
36 O2x O 26.5191 -14.1546
37 C1y C 25.3054 -14.8553
38 O2x O 25.3054 -16.2577
39 C1x C 26.5191 -16.9584
40 O1a O 28.9464 -12.7532
41 C1a C 24.0715 -14.1427
42 O1a O 31.3910 -14.1444
BOND 48
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
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 1 11 1
13 11 12 1
14 12 13 1
15 2 13 1
16 8 14 1
17 14 15 1
18 15 16 1
19 9 16 1
20 14 17 2
21 7 18 1 #Down
22 18 19 2
23 19 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 18 23 1
28 20 24 1
29 22 25 1
30 25 26 1
31 24 27 1
32 21 28 1
33 10 29 1 #Up
34 30 29 1 #Down
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 30 35 1
41 33 36 1
42 36 37 1
43 37 38 1
44 38 39 1
45 34 39 1
46 32 40 1 #Down
47 37 41 1 #Up
48 31 42 1 #Up
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