ATOM 55
1 C1y C 19.7503 -21.4298
2 C1b C 20.9408 -22.1300
3 C1c C 22.4114 -21.4298
4 O1a O 22.4114 -20.0292
5 C1x C 17.3694 -20.0292
6 C1x C 17.3694 -21.4298
7 C1y C 18.5599 -22.1300
8 O2x O 19.7503 -20.0292
9 C1z C 18.5599 -19.3289
10 C1b C 13.8680 -10.9957
11 C1c C 15.0585 -10.2954
12 C2b C 13.8680 -12.3962
13 C2b C 12.6776 -13.0965
14 C2b C 12.6776 -14.4270
15 C2b C 13.8680 -15.1273
16 C1c C 13.8680 -16.5279
17 C1b C 15.0585 -17.2281
18 C1c C 16.2490 -10.9957
19 C1c C 17.4394 -10.2954
20 C5a C 18.6299 -10.9957
21 C1c C 19.8904 -10.2954
22 C1c C 21.0808 -10.9957
23 C5a C 23.5318 -10.9957
24 C1c C 22.2714 -10.2954
25 C1c C 23.5318 -12.3962
26 C1c C 24.6522 -14.4970
27 C1c C 24.7223 -13.0965
28 C2b C 23.4618 -15.1973
29 C7a C 22.2013 -17.2982
30 C2b C 23.4618 -16.5979
31 O7a O 21.0108 -16.5279
32 C1y C 19.7503 -17.2281
33 C1y C 18.5599 -16.5279
34 C1b C 16.1789 -16.4578
35 C1y C 17.3694 -17.1581
36 C1a C 15.0585 -8.8949
37 O1a O 16.2490 -12.3962
38 C1a C 17.4401 -8.8952
39 O5a O 18.6299 -12.3962
40 C1a C 19.8904 -8.8949
41 O1a O 21.0808 -12.3962
42 C1a C 22.2714 -8.8949
43 O5a O 24.7223 -10.2954
44 C1a C 22.2714 -13.0965
45 O1a O 25.9127 -12.3962
46 C1a C 25.9127 -15.1973
47 O6a O 22.2013 -18.6987
48 C1a C 18.5599 -15.1273
49 C1b C 12.6076 -17.2281
50 C1a C 11.4171 -16.5279
51 C1y C 19.7503 -18.6287
52 C1a C 21.0108 -19.3289
53 O2x O 17.3694 -18.6287
54 C1a C 18.5599 -23.5306
55 C1a C 23.6018 -22.1300
BOND 57
1 29 30 1
2 5 9 1
3 6 7 1
4 31 32 1
5 33 32 1
6 7 1 1
7 15 16 1
8 16 17 1
9 33 35 1
10 34 35 1
11 17 34 1
12 11 36 1 #Up
13 1 8 1
14 18 37 1 #Up
15 9 8 1 #Down
16 19 38 1 #Down
17 18 19 1
18 20 19 1
19 20 39 2
20 10 12 1
21 21 40 1 #Up
22 22 41 1 #Up
23 20 21 1
24 24 42 1 #Up
25 22 21 1
26 23 43 2
27 1 2 1
28 25 44 1 #Down
29 10 11 1
30 27 45 1 #Down
31 18 11 1
32 26 46 1 #Up
33 22 24 1
34 29 47 2
35 25 23 1
36 23 24 1
37 33 48 1 #Up
38 2 3 1
39 3 4 1 #Down
40 5 6 1
41 16 49 1
42 25 27 1
43 49 50 1
44 28 26 1
45 32 51 1
46 26 27 1
47 51 52 1 #Down
48 51 9 1
49 12 13 2
50 9 53 1
51 53 35 1
52 13 14 1
53 7 54 1 #Up
54 14 15 2
55 28 30 2
56 3 55 1
57 31 29 1
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