ATOM 45
1 C1y C 20.9683 -19.5377
2 C1y C 21.4743 -18.1533
3 O2a O 19.6815 -20.1812
4 C1y C 21.8958 -20.5451
5 O2x O 22.8854 -17.9270
6 C1b C 20.3501 -16.7295
7 C1y C 18.3636 -19.7331
8 C1y C 23.2270 -20.3144
9 O1a O 21.4566 -21.8807
10 C1y C 23.7418 -19.0453
11 O2a O 21.3223 -15.7369
12 O2x O 17.8488 -18.4417
13 C1y C 17.4717 -20.8557
14 O1a O 24.1057 -21.3971
15 O2a O 25.1618 -19.2316
16 C1y C 20.4172 -14.6764
17 C1y C 16.4467 -18.2643
18 C1y C 16.1183 -20.6693
19 O1a O 18.1309 -21.8759
20 C1y C 26.2489 -18.3663
21 O2x O 20.8831 -13.3673
22 C1y C 19.0460 -14.9338
23 C1y C 15.5813 -19.3913
24 C1b C 15.6198 -17.2707
25 O1a O 15.2619 -21.7832
26 C1y C 26.3244 -16.9685
27 C1y C 27.4515 -19.0897
28 C1y C 19.9778 -12.3068
29 C1y C 18.1407 -13.8820
30 O1a O 18.6022 -16.1249
31 O1a O 14.2012 -19.2360
32 O1a O 16.0661 -16.4167
33 O2x O 27.5757 -16.3162
34 C1b C 25.1273 -15.9687
35 C1y C 28.6496 -18.4684
36 O1a O 27.3982 -20.4963
37 C1y C 18.6022 -12.5641
38 C1b C 20.6947 -10.7566
39 O1a O 16.7741 -14.1660
40 C1y C 28.7384 -17.0706
41 O1a O 25.5577 -14.8385
42 O1a O 29.8078 -19.2360
43 O1a O 17.6482 -11.5035
44 O1a O 19.8451 -9.9337
45 O1a O 29.9286 -16.4404
BOND 48
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Down
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1 #Down
14 10 15 1 #Down
15 16 11 1 #Down
16 12 17 1
17 13 18 1
18 13 19 1 #Down
19 20 15 1 #Down
20 16 21 1
21 16 22 1
22 17 23 1
23 17 24 1 #Up
24 18 25 1 #Up
25 20 26 1
26 20 27 1
27 21 28 1
28 22 29 1
29 22 30 1 #Down
30 23 31 1 #Down
31 24 32 1
32 26 33 1
33 26 34 1 #Up
34 27 35 1
35 27 36 1 #Up
36 28 37 1
37 28 38 1 #Up
38 29 39 1 #Up
39 33 40 1
40 34 41 1
41 35 42 1 #Down
42 37 43 1 #Down
43 38 44 1
44 40 45 1 #Down
45 8 10 1
46 18 23 1
47 29 37 1
48 35 40 1
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