ATOM 44
1 C1y C 31.7800 -23.9400
2 C1y C 31.7800 -25.3400
3 C1y C 32.9924 -26.0400
4 C1y C 34.2049 -25.3400
5 C1y C 34.2049 -23.9400
6 O2x O 32.9924 -23.2400
7 C1b C 35.4360 -23.2290
8 O1a O 36.6412 -23.9247
9 O7a O 32.9924 -27.4398
10 O1a O 35.4360 -26.0510
11 O2a O 30.5676 -26.0400
12 O2a O 30.5676 -23.2400
13 C7a C 34.2048 -28.1398
14 C2b C 35.4359 -27.4288
15 O6a O 34.2049 -29.5398
16 C2b C 36.6412 -28.1246
17 C8y C 37.8235 -27.4418
18 C8x C 39.0175 -28.1312
19 C8y C 40.2299 -27.4312
20 C8y C 40.2299 -26.0312
21 C8x C 39.0359 -25.3418
22 C8x C 37.8235 -26.0418
23 O1a O 41.4534 -25.3246
24 O1a O 41.4612 -28.1421
25 C1y C 29.3552 -26.7400
26 O2x O 28.1240 -26.0290
27 C1y C 26.9115 -26.7288
28 C1y C 26.9113 -28.1288
29 C1y C 28.1424 -28.8398
30 C1y C 29.3550 -28.1400
31 C1a C 25.6808 -26.0176
32 O1a O 25.6705 -28.8451
33 O1a O 28.1422 -30.2400
34 O1a O 30.5484 -28.8295
35 C1b C 30.5676 -21.8400
36 C1b C 29.3552 -21.1400
37 C8y C 28.1240 -21.8510
38 C8x C 26.9188 -21.1553
39 C8y C 25.7064 -21.8554
40 C8y C 25.7065 -23.2554
41 C8x C 26.9117 -23.9511
42 C8x C 28.1241 -23.2510
43 O1a O 24.4886 -23.9588
44 O1a O 24.4749 -21.1446
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 3 9 1
10 4 10 1
11 2 11 1
12 1 12 1
13 9 13 1
14 13 14 1
15 13 15 2
16 14 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 20 23 1
25 19 24 1
26 11 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 25 30 1
33 27 31 1
34 28 32 1
35 29 33 1
36 30 34 1
37 12 35 1
38 35 36 1
39 36 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 37 42 1
46 40 43 1
47 39 44 1
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