ATOM 56
1 C1y C 23.9789 -22.1291
2 O2x O 23.9762 -23.5068
3 C1y C 25.1850 -21.4400
4 C1y C 25.1741 -24.2017
5 C1y C 26.3769 -22.1351
6 O1a O 25.1877 -20.0387
7 C1y C 26.3744 -23.5188
8 C1b C 25.1658 -25.6089
9 O1a O 27.5832 -21.4344
10 O1a O 27.5721 -24.2136
11 O1a O 23.9536 -26.3038
12 C1z C 21.5609 -16.6488
13 C1y C 20.3706 -15.9453
14 C1z C 22.7571 -15.9628
15 C1x C 21.5609 -18.0325
16 C1a C 22.1791 -15.2534
17 C1z C 19.1569 -16.6312
18 C1x C 20.3824 -14.5616
19 C1y C 22.7746 -14.5791
20 C1x C 25.1551 -15.9921
21 C1a C 22.7453 -17.3406
22 C1y C 20.3589 -18.7244
23 C1y C 19.1511 -18.0208
24 C1x C 17.9609 -15.9394
25 C1a C 19.1452 -15.2475
26 C1y C 21.5843 -13.8755
27 C1y C 23.9766 -13.9049
28 C1x C 25.1028 -14.6085
29 O2a O 20.3472 -20.1023
30 C1z C 17.9609 -18.7186
31 C1x C 16.7589 -16.6312
32 O1a O 21.5786 -12.6200
33 C1d C 23.9883 -12.5152
34 C1y C 20.3354 -21.5036
35 C1y C 16.7589 -18.0208
36 C1a C 17.2573 -19.9206
37 C1a C 18.7850 -19.9915
38 C1b C 25.1903 -11.8293
39 C1a C 22.7805 -11.6133
40 O1a O 23.9766 -10.7115
41 C1y C 21.5491 -22.1897
42 O2x O 19.1394 -22.2131
43 O1a O 15.5510 -18.7186
44 C1b C 26.3865 -12.5269
45 O2a O 22.7374 -21.4740
46 C1y C 21.5609 -23.5734
47 C1y C 19.0869 -23.6086
48 C2b C 27.5825 -11.8351
49 C1y C 20.3766 -24.2828
50 O1a O 22.7746 -24.2476
51 C1b C 17.9667 -24.3180
52 C2c C 28.7904 -12.5329
53 O1a O 20.3883 -25.6723
54 O1a O 16.7412 -23.6321
55 C1a C 29.9864 -11.8468
56 C1a C 28.7845 -13.9224
BOND 61
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 7 10 1 #Down
10 8 11 1
11 5 7 1
12 12 13 1
13 12 14 1
14 12 15 1
15 12 16 1 #Up
16 13 17 1
17 13 18 1
18 14 19 1
19 14 20 1
20 14 21 1 #Down
21 15 22 1
22 17 23 1
23 17 24 1
24 17 25 1 #Up
25 18 26 1
26 19 27 1
27 20 28 1
28 22 29 1 #Down
29 23 30 1
30 24 31 1
31 26 32 1 #Up
32 27 33 1
33 34 29 1 #Up
34 30 35 1
35 30 36 1
36 30 37 1
37 33 38 1
38 33 39 1 #Down
39 33 40 1 #Up
40 34 41 1
41 34 42 1
42 35 43 1 #Up
43 38 44 1
44 41 45 1 #Down
45 41 46 1
46 42 47 1
47 44 48 1
48 46 49 1
49 46 50 1 #Up
50 47 51 1 #Up
51 48 52 2
52 49 53 1 #Down
53 51 54 1
54 52 55 1
55 52 56 1
56 19 26 1
57 22 23 1
58 27 28 1
59 31 35 1
60 47 49 1
61 1 45 1 #Up
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