ATOM 45
1 C1x C 27.1560 -18.5578
2 C1y C 27.1560 -19.9404
3 C1x C 28.3614 -20.6317
4 C1x C 28.3614 -17.8665
5 C1z C 29.5527 -18.5578
6 C2y C 29.5468 -19.9404
7 C2x C 30.7391 -20.6367
8 C1x C 31.9376 -19.9507
9 C1y C 30.7510 -17.8716
10 C1y C 31.9376 -18.5710
11 C1x C 31.9604 -15.8131
12 C1x C 30.7625 -16.4927
13 C1z C 33.1541 -16.5125
14 C1y C 33.2072 -17.8872
15 C1x C 35.5846 -17.9163
16 C1x C 35.5314 -16.5416
17 C1y C 34.3512 -15.8397
18 O7a O 25.9567 -20.6245
19 C7a C 24.7575 -19.9333
20 C1b C 23.5513 -20.6174
21 C1b C 22.3520 -19.9262
22 O6a O 24.7504 -18.5507
23 C1a C 29.5402 -17.1753
24 C1c C 34.3439 -14.4523
25 C1b C 35.5361 -13.7540
26 C1b C 36.7353 -14.4452
27 C1b C 37.9274 -13.7469
28 C1c C 39.1195 -14.4381
29 C1a C 39.1123 -15.8208
30 C1a C 40.3116 -13.7399
31 C1a C 33.1448 -15.1295
32 C1b C 21.1576 -20.6191
33 C1b C 19.9612 -19.9294
34 C1b C 18.7595 -20.6223
35 C1b C 17.5631 -19.9328
36 C1b C 16.3686 -20.6256
37 C1b C 16.3704 -22.0082
38 C1b C 17.5668 -22.6979
39 C1b C 18.7546 -22.0001
40 C1b C 19.9538 -22.6844
41 C1b C 21.1459 -21.9930
42 C1b C 22.3381 -22.6773
43 C1b C 23.5301 -21.9860
44 C1a C 24.7294 -22.6702
45 C1a C 33.1447 -13.7677
BOND 48
1 16 17 1
2 5 23 1 #Up
3 17 13 1
4 17 24 1
5 14 15 1
6 8 10 1
7 2 18 1 #Up
8 24 25 1
9 9 5 1
10 25 26 1
11 18 19 1
12 26 27 1
13 5 4 1
14 27 28 1
15 19 20 1
16 28 29 1
17 4 1 1
18 28 30 1
19 20 21 1
20 1 2 1
21 13 31 1 #Up
22 21 32 1
23 9 10 1
24 32 33 1
25 19 22 2
26 33 34 1
27 10 14 1
28 34 35 1
29 13 11 1
30 35 36 1
31 11 12 1
32 36 37 1
33 12 9 1
34 37 38 1
35 2 3 1
36 38 39 1
37 3 6 1
38 39 40 1
39 5 6 1
40 40 41 1
41 6 7 2
42 41 42 1
43 7 8 1
44 42 43 1
45 13 14 1
46 43 44 1
47 15 16 1
48 24 45 1 #Down
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