ATOM 28
1 C1y C 22.5995 -15.6168
2 C1y C 21.7218 -14.5091
3 C1y C 24.0078 -15.6077
4 O7x O 22.1708 -16.9630
5 C1y C 22.0314 -13.1465
6 C1z C 20.3266 -14.4942
7 C1y C 24.8826 -14.5044
8 C2y C 24.4509 -16.9466
9 C7x C 23.3197 -17.7835
10 C1x C 20.8282 -12.4296
11 C2y C 23.3041 -12.5290
12 C1y C 19.7749 -13.3530
13 C1b C 19.6124 -15.8324
14 O1a O 18.9310 -14.6101
15 C1x C 24.5675 -13.1325
16 O7a O 26.1117 -15.0935
17 C2a C 25.7871 -17.3693
18 O6a O 23.3298 -19.1787
19 C2a C 23.2941 -11.1337
20 O1a O 18.4124 -13.0435
21 C7a C 27.3118 -14.3937
22 C1d C 28.5161 -15.1004
23 O6a O 27.3192 -12.9988
24 C1b C 29.7279 -14.4064
25 C1a C 28.1412 -16.4464
26 O1a O 29.2043 -16.3119
27 X Cl 30.9263 -15.1131
28 X Cl 20.2936 -17.0511
BOND 30
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 6 12 1
12 6 13 1 #Up
13 6 14 1 #Down
14 7 15 1
15 7 16 1 #Down
16 8 17 2
17 9 18 2
18 11 19 2
19 12 20 1 #Down
20 16 21 1
21 21 22 1
22 21 23 2
23 22 24 1
24 22 25 1 #Down
25 22 26 1 #Up
26 24 27 1
27 8 9 1
28 10 12 1
29 11 15 1
30 13 28 1
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