ATOM 47
1 C8y C 15.6800 -19.6700
2 C8y C 16.1000 -21.0000
3 C8y C 17.5000 -21.0000
4 C8y C 17.9200 -19.6700
5 C1z C 16.8000 -18.8300
6 C8x C 18.4800 -22.0500
7 C8x C 19.8100 -21.7000
8 C8y C 20.2300 -20.3700
9 C8x C 19.3200 -19.3200
10 C8x C 14.2800 -19.4600
11 C8y C 13.3700 -20.5100
12 C8x C 13.8600 -21.8400
13 C8x C 15.1900 -22.0500
14 C1x C 15.6100 -16.7300
15 C1x C 15.6100 -18.1300
16 C1x C 18.0600 -18.1300
17 C1x C 18.0600 -16.7300
18 N1y N 16.8000 -16.0300
19 C5a C 16.7828 -14.6301
20 O5a O 15.5749 -13.9524
21 C1a C 17.9992 -13.9076
22 C3b C 21.6009 -20.0862
23 C3b C 11.9928 -20.2586
24 C3b C 22.9532 -19.7239
25 C3b C 10.6405 -19.8963
26 C1y C 24.3055 -19.3615
27 C1y C 9.2882 -19.5339
28 C1y C 25.3018 -20.3576
29 C1y C 26.6541 -19.9950
30 C1y C 27.0162 -18.6427
31 C1y C 26.0199 -17.6467
32 O2x O 24.6677 -18.0092
33 O2x O 8.9264 -18.1836
34 C1y C 7.5741 -17.8212
35 C1y C 6.5841 -18.8111
36 C1y C 6.9459 -20.1615
37 C1y C 8.2982 -20.5238
38 C1b C 7.2177 -16.4925
39 O1a O 5.9488 -21.1586
40 O1a O 8.6592 -21.8707
41 O1a O 28.3776 -18.2779
42 O1a O 5.2328 -18.4490
43 O1a O 24.9349 -21.7293
44 O1a O 27.6647 -21.0052
45 C1b C 26.3849 -16.2832
46 O1a O 5.8653 -16.1304
47 O1a O 27.7349 -15.9211
BOND 52
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 3 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 4 9 1
11 1 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 2 13 1
16 14 15 1
17 15 5 1
18 5 16 1
19 16 17 1
20 17 18 1
21 14 18 1
22 18 19 1
23 19 20 2
24 19 21 1
25 8 22 1
26 11 23 1
27 22 24 3
28 23 25 3
29 26 24 1 #Up
30 27 25 1 #Down
31 26 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 26 32 1
37 27 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 27 37 1
43 34 38 1 #Up
44 36 39 1 #Up
45 37 40 1 #Up
46 30 41 1 #Up
47 35 42 1 #Down
48 28 43 1 #Down
49 29 44 1 #Down
50 31 45 1 #Down
51 38 46 1
52 45 47 1
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