ATOM 39
1 C1y C 31.6602 -21.2729
2 C1y C 30.4531 -20.5814
3 C1y C 32.8734 -20.5625
4 C1x C 31.6414 -22.7627
5 C1z C 29.2525 -21.2791
6 C1x C 30.4406 -19.1795
7 C1z C 32.8798 -19.1669
8 C1x C 35.3000 -20.5750
9 C2x C 30.4595 -23.3599
10 C2y C 29.2525 -22.6622
11 C1x C 28.0519 -20.6002
12 C1a C 29.2463 -19.9151
13 C1x C 31.6540 -18.4691
14 C1y C 34.0930 -18.4629
15 C1a C 32.8734 -17.7966
16 C1x C 35.3000 -19.1733
17 C1x C 28.0519 -23.3599
18 C1x C 26.8700 -21.2791
19 C1c C 34.0930 -17.0987
20 C1y C 26.8700 -22.6622
21 C1b C 35.2749 -16.4072
22 C1a C 32.9049 -16.4198
23 O2a O 25.6755 -23.3411
24 C1b C 36.4629 -17.0861
25 C1y C 24.4939 -24.0262
26 C1b C 37.6448 -16.3947
27 O2x O 23.2994 -23.3411
28 C1y C 24.4939 -25.3968
29 C1c C 38.8329 -17.0736
30 C1y C 22.1114 -24.0262
31 C1y C 23.2994 -26.0756
32 O1a O 25.6755 -26.0756
33 C1a C 40.0083 -16.3821
34 C1a C 38.8391 -18.4441
35 C1y C 22.1114 -25.3968
36 C1b C 20.9421 -23.3411
37 O1a O 23.2994 -27.4396
38 O1a O 20.9421 -26.0756
39 O1a O 19.8986 -24.2275
BOND 43
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 1
19 17 20 1
20 19 21 1
21 19 22 1 #Down
22 20 23 1 #Up
23 21 24 1
24 25 23 1 #Up
25 24 26 1
26 25 27 1
27 25 28 1
28 26 29 1
29 27 30 1
30 28 31 1
31 28 32 1 #Down
32 29 33 1
33 29 34 1
34 30 35 1
35 30 36 1 #Up
36 31 37 1 #Up
37 35 38 1 #Down
38 36 39 1
39 7 13 1
40 9 10 2
41 14 16 1
42 18 20 1
43 31 35 1
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