ATOM 48
1 C1z C 26.6339 -16.6508
2 C1y C 27.8565 -15.9545
3 C1y C 25.3995 -15.9371
4 C1y C 26.6222 -18.0546
5 C1x C 26.0371 -15.6386
6 C1z C 27.8681 -14.5448
7 C1y C 29.0790 -16.6682
8 C1z C 24.1186 -16.6331
9 C1y C 25.4287 -14.5213
10 C1x C 25.4053 -18.7625
11 O7x O 27.8389 -18.7683
12 O2x O 26.5225 -14.6848
13 C1y C 26.6573 -13.8251
14 C7a C 29.0907 -13.8368
15 C7x C 29.0675 -18.0780
16 O7a O 30.2959 -15.9779
17 C1y C 24.1826 -18.0488
18 C2x C 22.9659 -15.9254
19 C1a C 24.1769 -15.2233
20 O1a O 24.2120 -13.7959
21 O1a O 26.6690 -12.4153
22 O7a O 30.3134 -14.5448
23 O6a O 29.0907 -12.4211
24 O6a O 30.2900 -18.7977
25 C7a C 31.5126 -16.6740
26 C1y C 22.9659 -18.7566
27 C2y C 21.7433 -16.6331
28 C1a C 31.5360 -13.8368
29 C2b C 32.7353 -15.9662
30 O6a O 31.5126 -18.0897
31 C5x C 21.7433 -18.0488
32 C1a C 22.9717 -20.1665
33 O2a O 20.5149 -15.9254
34 C2c C 33.9579 -16.6682
35 O5x O 20.5149 -18.7566
36 C1y C 19.2922 -15.2174
37 C1a C 35.1806 -15.9605
38 C1a C 33.9521 -18.0839
39 O2x O 19.2863 -13.8193
40 C1y C 18.0813 -15.9254
41 C1y C 18.0696 -13.1231
42 C1y C 16.8644 -15.2291
43 O1a O 18.0870 -17.3234
44 C1y C 16.8586 -13.8311
45 C1b C 18.0636 -11.7250
46 O1a O 15.6594 -15.9371
47 O1a O 15.6419 -13.1348
48 O1a O 16.8527 -11.0290
BOND 53
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 7 16 1 #Up
16 8 17 1
17 8 18 1
18 8 19 1 #Up
19 9 20 1 #Up
20 13 21 1 #Down
21 14 22 1
22 14 23 2
23 15 24 2
24 16 25 1
25 17 26 1
26 18 27 2
27 22 28 1
28 25 29 1
29 25 30 2
30 26 31 1
31 26 32 1 #Down
32 27 33 1
33 29 34 2
34 31 35 2
35 36 33 1 #Up
36 34 37 1
37 34 38 1
38 36 39 1
39 36 40 1
40 39 41 1
41 40 42 1
42 40 43 1 #Down
43 41 44 1
44 41 45 1 #Up
45 42 46 1 #Up
46 44 47 1 #Down
47 45 48 1
48 6 12 1 #Up
49 9 13 1
50 10 17 1
51 11 15 1
52 27 31 1
53 42 44 1
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