ATOM 28
1 C1z C 21.7282 -14.7069
2 C1y C 22.5826 -15.6818
3 C1y C 22.0652 -13.2089
4 C2y C 20.3413 -14.6730
5 O1a O 20.9515 -15.9334
6 C1y C 23.9988 -15.7002
7 O7x O 22.1325 -17.0205
8 C1z C 23.3419 -12.6163
9 C1y C 20.8719 -12.4773
10 C2x C 19.8087 -13.3801
11 C1a C 19.6082 -15.8584
12 C1y C 24.8855 -14.6101
13 C2y C 24.4200 -17.0450
14 C7x C 23.2694 -17.8685
15 C1x C 24.5968 -13.2346
16 O1a O 23.0647 -11.2343
17 O1a O 20.7690 -11.0855
18 O7a O 26.0657 -15.2317
19 C2a C 25.7410 -17.4902
20 O6a O 23.2542 -19.2588
21 C7a C 27.2653 -14.5204
22 C2c C 28.4728 -15.1963
23 O6a O 27.3160 -13.1276
24 C1b C 24.0272 -11.3999
25 X Cl 25.4217 -11.3852
26 C1a C 29.6711 -14.4830
27 C2b C 28.4912 -16.5907
28 C1a C 27.2930 -17.3040
BOND 30
1 4 10 2
2 4 11 1
3 6 12 1
4 6 13 1
5 7 14 1
6 8 15 1
7 8 16 1 #Down
8 9 17 1 #Up
9 12 18 1 #Up
10 13 19 2
11 14 20 2
12 18 21 1
13 21 22 1
14 21 23 2
15 9 10 1
16 12 15 1
17 13 14 1
18 1 2 1
19 8 24 1 #Up
20 1 3 1
21 24 25 1
22 1 4 1
23 1 5 1 #Down
24 2 6 1
25 2 7 1
26 22 26 1
27 3 8 1
28 22 27 2
29 3 9 1
30 27 28 1
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