ATOM 21
1 C1z C 23.9765 -14.1478
2 C1y C 22.6434 -13.7287
3 C1y C 23.9824 -15.5566
4 O2x O 23.6680 -12.7798
5 C1y C 25.1991 -13.4608
6 C1y C 21.8284 -14.8639
7 C1y C 25.1991 -16.2611
8 C1z C 22.6492 -15.9991
9 C1x C 26.4099 -14.1537
10 C1c C 25.2048 -12.0579
11 X Cl 20.4312 -14.8696
12 C1y C 26.4099 -15.5566
13 O7x O 25.4901 -17.6290
14 C1a C 23.0101 -17.3380
15 O1a O 21.6538 -16.9770
16 C1a C 26.4215 -11.3652
17 O1a O 23.9940 -11.3536
18 C2y C 27.4518 -16.4880
19 C7x C 26.8814 -17.6288
20 C2a C 28.8200 -16.1969
21 O6a O 27.5916 -18.9796
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 5 9 1
9 5 10 1
10 6 11 1 #Down
11 7 12 1
12 7 13 1
13 8 14 1 #Down
14 8 15 1 #Up
15 10 16 1
16 10 17 1 #Up
17 12 18 1
18 13 19 1
19 18 20 2
20 19 21 2
21 2 4 1
22 6 8 1
23 9 12 1
24 18 19 1
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