ATOM 39
1 C7a C 22.2607 -18.1806
2 O6a O 23.4742 -17.4769
3 O7a O 21.1877 -17.3363
4 C8y C 22.2607 -19.5810
5 C8x C 21.0537 -20.2737
6 C8x C 21.0537 -21.6738
7 C8x C 22.2673 -22.3775
8 C8x C 23.4809 -21.6738
9 C8x C 23.4809 -20.2737
10 C8y C 17.8104 -15.1399
11 C8y C 17.8208 -13.7877
12 C8y C 16.5571 -15.4789
13 C8y C 18.7188 -12.8793
14 C8y C 16.1367 -16.8776
15 O2a O 15.2283 -14.8313
16 C1y C 20.1352 -16.1718
17 C8x C 18.4568 -11.5097
18 C1x C 20.0594 -12.8210
19 O2a O 15.2224 -13.9273
20 C8y C 17.1336 -17.8325
21 C1a C 13.8876 -15.5489
22 C1z C 20.9049 -15.2563
23 C1y C 20.9049 -13.7177
24 C1a C 14.0332 -13.2984
25 O1a O 22.4644 -15.2744
26 C1a C 22.0263 -12.8332
27 C8y C 16.4608 -13.2616
28 C8y C 18.7344 -16.1711
29 C8x C 18.5130 -17.5919
30 C8y C 16.9811 -11.1204
31 O2x O 16.2252 -9.9496
32 C1x C 14.8732 -10.3002
33 O2x O 14.7908 -11.6947
34 C8y C 16.1555 -12.2549
35 O2a O 14.7822 -17.2322
36 O2a O 16.7260 -19.1719
37 C1a C 14.4156 -18.5834
38 C1a C 15.3614 -19.4852
39 C1a C 21.8954 -16.4159
BOND 43
1 12 15 1
2 28 29 2
3 28 16 1
4 13 17 2
5 13 18 1
6 27 34 1
7 27 19 1
8 14 20 2
9 15 21 1
10 16 22 1
11 17 30 1
12 18 23 1
13 19 24 1
14 22 25 1 #Down
15 23 26 1 #Down
16 22 23 1
17 8 9 2
18 11 27 2
19 9 4 1
20 10 28 1
21 1 3 1
22 20 29 1
23 1 2 2
24 1 4 1
25 4 5 2
26 30 31 1
27 31 32 1
28 32 33 1
29 33 34 1
30 5 6 1
31 30 34 2
32 6 7 2
33 14 35 1
34 7 8 1
35 20 36 1
36 10 11 1
37 35 37 1
38 10 12 2
39 36 38 1
40 11 13 1 #Down
41 22 39 1 #Up
42 16 3 1 #Up
43 12 14 1
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