ATOM 28
1 O7x O 13.8910 -16.8928
2 C7x C 13.8910 -18.2626
3 C2x C 15.0772 -18.9475
4 C2y C 16.2635 -18.2626
5 C1z C 16.2635 -16.8928
6 C1x C 15.0772 -16.2079
7 C2y C 17.4497 -18.9475
8 C2x C 18.6359 -18.2626
9 C1y C 18.6359 -16.8928
10 C1y C 17.4497 -16.2079
11 C1y C 19.8223 -16.2079
12 C1z C 19.8223 -14.8382
13 C1x C 18.6359 -14.1533
14 C1x C 17.4497 -14.8382
15 C1x C 22.1947 -16.2079
16 C1x C 22.1947 -14.8382
17 C1z C 21.0085 -14.1533
18 O6a O 12.7048 -18.9475
19 X Cl 17.4497 -20.3172
20 C1a C 16.2635 -15.5231
21 C1a C 19.8223 -13.4684
22 C5a C 21.0085 -12.7835
23 O5a O 22.1987 -12.0964
24 C1a C 19.8262 -12.1009
25 O7a O 22.1947 -13.4684
26 C7a C 23.3810 -14.1533
27 C1a C 24.5894 -13.4553
28 O6a O 23.3811 -15.5228
BOND 31
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 7 19 1
23 5 20 1 #Up
24 12 21 1 #Up
25 17 22 1 #Up
26 22 23 2
27 22 24 1
28 17 25 1 #Down
29 25 26 1
30 26 27 1
31 26 28 2
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