ATOM 47
1 C1y C 17.7509 -22.0844
2 C1y C 17.7475 -23.4812
3 O2x O 16.5326 -21.3808
4 C1y C 16.5408 -24.1831
5 O1a O 18.9657 -24.1846
6 C1x C 15.3129 -22.0820
7 C1y C 15.3195 -23.4846
8 O1a O 16.5343 -25.5850
9 O1a O 14.1049 -24.1887
10 C1z C 26.2436 -18.6145
11 C2y C 26.2610 -17.2194
12 C1z C 25.0411 -19.3093
13 C1x C 27.4461 -19.3326
14 C1a C 26.2319 -20.0098
15 C1y C 27.4811 -16.5363
16 C2x C 25.0586 -16.5129
17 C1y C 23.8327 -18.5971
18 C1x C 25.0411 -20.7103
19 C1a C 25.6535 -17.9023
20 C1x C 28.6661 -18.6438
21 C1z C 28.6778 -17.2485
22 C1x C 27.4987 -15.1469
23 C1x C 23.7744 -17.1960
24 C1z C 22.6127 -19.2976
25 C1x C 23.8211 -21.4049
26 C1x C 29.8979 -16.5713
27 C6a C 29.8862 -17.9490
28 C1z C 28.7188 -14.4581
29 C1y C 22.6068 -20.7044
30 C1x C 21.3984 -18.5911
31 C1a C 22.6010 -17.8965
32 C1x C 29.9155 -15.1762
33 O6a O 31.1005 -17.2368
34 O6a O 29.8804 -19.3560
35 C1z C 21.3984 -21.3991
36 C1y C 20.1783 -19.2976
37 C1y C 20.1783 -20.7044
38 C1b C 21.7545 -22.7534
39 C1a C 20.6104 -22.8933
40 O1a O 18.9642 -18.5911
41 O2a O 18.9642 -21.3991
42 C7a C 29.4037 -13.2390
43 C1a C 28.0071 -13.2390
44 O6a O 29.0369 -11.8847
45 O7a O 30.8004 -13.2390
46 C1a C 31.4916 -14.4452
47 O1a O 23.0017 -23.6037
BOND 52
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Down
5 3 6 1
6 10 11 1
7 10 12 1
8 10 13 1
9 10 14 1 #Down
10 11 15 1
11 11 16 2
12 12 17 1
13 12 18 1
14 12 19 1 #Up
15 13 20 1
16 15 21 1
17 15 22 1
18 16 23 1
19 17 24 1
20 18 25 1
21 21 26 1
22 21 27 1 #Up
23 22 28 1
24 24 29 1
25 24 30 1
26 24 31 1 #Up
27 26 32 1
28 27 33 1
29 27 34 2
30 29 35 1
31 30 36 1
32 35 37 1
33 35 38 1 #Down
34 35 39 1 #Up
35 36 40 1 #Up
36 37 41 1 #Up
37 17 23 1
38 20 21 1
39 25 29 1
40 28 32 1
41 36 37 1
42 1 41 1 #Up
43 4 7 1
44 28 42 1 #Up
45 4 8 1 #Up
46 28 43 1 #Down
47 7 9 1 #Down
48 42 44 2
49 6 7 1
50 42 45 1
51 45 46 1
52 38 47 1
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