ATOM 31
1 C1z C 22.0509 -15.3039
2 C1y C 22.9348 -16.2404
3 C1y C 22.3502 -13.8120
4 C2y C 20.6644 -15.2970
5 O1a O 21.2077 -16.5615
6 C1y C 24.3241 -16.2305
7 O7x O 22.5211 -17.5691
8 C1z C 23.5918 -13.1901
9 C1y C 21.1473 -13.1107
10 C2x C 20.1174 -14.0312
11 C1a C 19.9662 -16.4877
12 C1y C 25.1790 -15.1236
13 C2y C 24.7659 -17.5501
14 C7x C 23.6523 -18.3744
15 C1x C 24.8499 -13.7721
16 C1b C 24.5164 -11.8648
17 O1a O 23.2260 -11.8441
18 O7a O 21.0152 -11.6644
19 O7a O 26.6135 -15.5699
20 C2a C 26.0843 -17.9578
21 O6a O 23.6654 -19.7586
22 X Cl 25.8414 -11.8638
23 C7a C 19.6377 -11.7242
24 C1a C 18.9475 -10.5305
25 O6a O 18.9366 -12.9199
26 C7a C 27.9540 -14.8031
27 C2c C 29.1501 -15.4947
28 O6a O 27.9540 -13.4196
29 C1a C 30.3608 -14.7966
30 C2b C 29.1491 -16.8922
31 C1a C 27.9384 -17.5901
BOND 33
1 3 9 1
2 4 10 2
3 4 11 1
4 6 12 1
5 6 13 1
6 7 14 1
7 8 15 1
8 8 16 1 #Up
9 8 17 1 #Down
10 9 18 1 #Up
11 12 19 1 #Up
12 13 20 2
13 14 21 2
14 16 22 1
15 18 23 1
16 23 24 1
17 23 25 2
18 9 10 1
19 12 15 1
20 13 14 1
21 19 26 1
22 1 2 1
23 26 27 1
24 1 3 1
25 1 4 1
26 1 5 1 #Down
27 2 6 1
28 26 28 2
29 27 29 1
30 2 7 1
31 27 30 2
32 3 8 1
33 30 31 1
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