ATOM 35
1 C1z C 22.7614 -20.0029
2 C1z C 23.9753 -19.3085
3 C1y C 21.5534 -19.2909
4 C1x C 22.7614 -21.4036
5 C1a C 23.3740 -18.5966
6 C2y C 23.9928 -17.9079
7 C1x C 25.1717 -20.0205
8 C1a C 23.9577 -20.7032
9 C1z C 20.3338 -19.9913
10 C1y C 21.5650 -17.8903
11 C1x C 21.5417 -22.0981
12 C1y C 25.2067 -17.2310
13 C2x C 22.7847 -17.2017
14 C1x C 26.3855 -19.3377
15 C1y C 20.3279 -21.3919
16 C1x C 19.1199 -19.2852
17 C1a C 20.3221 -18.5849
18 O1a O 20.3396 -17.1902
19 C1z C 26.3972 -17.9430
20 C1x C 25.2301 -15.8363
21 C1z C 19.1199 -22.0922
22 C1x C 17.9002 -19.9913
23 C1x C 27.6169 -17.2660
24 C6a C 27.6052 -18.6433
25 C1z C 26.4381 -15.1534
26 C5x C 17.9002 -21.3919
27 C1a C 18.4079 -23.5160
28 C1a C 19.6859 -23.5861
29 C5x C 27.6345 -15.8711
30 O6a O 28.8191 -17.9313
31 O6a O 27.5994 -20.0496
32 C1a C 27.1325 -13.9337
33 C1a C 25.7319 -13.9337
34 O5x O 16.6864 -22.0922
35 O5x O 28.8599 -15.1825
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 9 15 1
15 9 16 1
16 9 17 1 #Up
17 10 18 1 #Down
18 12 19 1
19 12 20 1
20 15 21 1
21 16 22 1
22 19 23 1
23 19 24 1 #Up
24 20 25 1
25 21 26 1
26 21 27 1
27 21 28 1
28 23 29 1
29 24 30 1
30 24 31 2
31 25 32 1
32 25 33 1
33 26 34 2
34 29 35 2
35 10 13 1
36 11 15 1
37 14 19 1
38 22 26 1
39 25 29 1
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