ATOM 52
1 C1y C 35.6910 -16.5251
2 O2x O 34.4598 -15.8169
3 O2a O 36.8886 -15.8169
4 C1y C 35.6910 -17.9250
5 C1y C 33.2622 -16.5251
6 C1c C 38.1029 -16.5082
7 C1y C 34.4598 -18.6249
8 O1a O 36.8886 -18.6249
9 C1b C 32.0480 -15.8169
10 C1y C 33.2622 -17.9250
11 C8y C 39.3088 -15.8083
12 C3b C 38.0945 -17.9081
13 O1a O 34.4598 -20.0334
14 O2a O 30.9770 -16.7359
15 O1a O 32.0480 -18.4149
16 C8x C 40.5150 -16.4999
17 C8x C 39.3619 -14.4167
18 N3a N 38.0860 -19.2997
19 C1y C 29.7625 -17.4444
20 C8x C 41.7207 -15.8000
21 C8x C 40.4979 -13.7085
22 C1y C 29.7625 -18.8443
23 O2x O 28.5480 -16.7359
24 C8x C 41.7124 -14.3999
25 C1y C 28.5480 -19.5443
26 O1a O 30.9770 -19.5443
27 C1x C 27.3337 -17.4444
28 C1y C 27.3337 -18.8443
29 O1a O 28.5480 -20.9441
30 O7a O 26.1192 -19.5526
31 C7a C 24.9133 -18.8526
32 C2b C 23.7159 -19.5526
33 O6a O 24.9050 -17.4527
34 C2b C 22.5014 -18.8526
35 C8y C 21.2872 -19.5443
36 C8x C 21.2534 -18.1444
37 C8x C 20.0812 -20.2611
38 C8x C 20.0389 -17.4696
39 C8x C 18.8584 -19.5863
40 C8y C 18.8330 -18.1864
41 O2a O 17.6187 -17.4865
42 C1y C 16.4042 -18.1864
43 O2x O 15.1900 -17.4865
44 C1y C 16.4042 -19.5949
45 C1y C 13.9840 -18.1864
46 C1y C 15.1900 -20.2948
47 O1a O 17.6187 -20.2948
48 C1y C 13.9840 -19.5949
49 C1b C 12.7695 -17.4865
50 O1a O 15.1900 -21.6947
51 O1a O 12.7695 -20.2948
52 O1a O 11.6986 -18.3973
BOND 56
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1 #Up
9 5 10 1
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 10 15 1 #Down
15 11 16 2
16 11 17 1
17 12 18 3
18 19 14 1 #Up
19 16 20 1
20 17 21 2
21 19 22 1
22 19 23 1
23 20 24 2
24 22 25 1
25 22 26 1 #Down
26 23 27 1
27 25 28 1
28 25 29 1 #Up
29 28 30 1 #Down
30 30 31 1
31 31 32 1
32 31 33 2
33 32 34 2
34 34 35 1
35 35 36 2
36 35 37 1
37 36 38 1
38 37 39 2
39 38 40 2
40 40 41 1
41 42 41 1 #Up
42 42 43 1
43 42 44 1
44 43 45 1
45 44 46 1
46 44 47 1 #Down
47 45 48 1
48 45 49 1 #Up
49 46 50 1 #Up
50 48 51 1 #Down
51 49 52 1
52 7 10 1
53 21 24 1
54 27 28 1
55 39 40 1
56 46 48 1
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