ATOM 29
1 C7a C 21.9141 -13.6465
2 O7a O 23.2498 -14.3887
3 O6a O 21.8896 -12.1230
4 C1a C 20.6063 -14.4285
5 O2a O 27.2070 -15.8037
6 C1y C 26.0241 -16.6717
7 O2x O 24.8408 -15.9736
8 C1y C 26.0162 -18.0388
9 C1y C 23.6589 -16.6578
10 C1y C 24.8253 -18.7077
11 O1a O 27.2097 -18.7248
12 C1y C 23.6512 -18.0249
13 C1b C 22.4779 -15.9676
14 O1a O 24.8226 -20.0779
15 O1a O 22.4623 -18.7018
16 O1a O 21.2953 -16.6465
17 C1y C 25.9922 -13.5463
18 C1z C 26.0038 -12.1822
19 C1y C 27.1956 -14.2247
20 C1z C 24.6981 -13.9591
21 C2y C 27.1956 -11.4906
22 C1y C 24.7098 -11.7588
23 O1a O 25.9922 -10.8181
24 O2x O 28.3617 -13.5522
25 C1x C 23.9029 -12.8432
26 C1a C 23.9264 -15.2344
27 C2x C 28.3617 -12.1822
28 C1a C 27.1956 -10.1264
29 O1a O 24.2874 -10.4434
BOND 31
1 1 4 1
2 1 2 1
3 8 10 1
4 8 11 1 #Down
5 9 12 1
6 9 13 1 #Up
7 10 14 1 #Up
8 12 15 1 #Down
9 10 12 1
10 13 16 1
11 6 5 1 #Up
12 6 7 1
13 6 8 1
14 7 9 1
15 17 18 1
16 17 19 1
17 17 20 1
18 18 21 1
19 18 22 1
20 18 23 1 #Up
21 19 24 1
22 20 25 1
23 20 26 1 #Down
24 20 2 1 #Up
25 21 27 2
26 21 28 1
27 22 25 1
28 24 27 1
29 19 5 1 #Up
30 1 3 2
31 22 29 1 #Up
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