ATOM 25
1 C1y C 23.3543 -23.5436
2 C1y C 23.3543 -22.1388
3 C1y C 22.1360 -24.2493
4 O2x O 24.5783 -24.2433
5 O2x O 24.5726 -21.4342
6 C1y C 22.1360 -21.4516
7 C1y C 20.9352 -23.5436
8 N1b N 22.1360 -25.6423
9 C1z C 25.7313 -23.5495
10 C1y C 25.7837 -22.1331
11 C1y C 20.9352 -22.1388
12 O1a O 22.1360 -20.0762
13 O1a O 19.7287 -24.2319
14 C1a C 20.9294 -26.3235
15 C5x C 27.0371 -24.2493
16 O1a O 25.7954 -24.9247
17 O2x O 27.0079 -21.4109
18 N1b N 19.7345 -21.4516
19 C1x C 28.2728 -23.5378
20 O5x O 27.0488 -25.6423
21 C1y C 28.2554 -22.1039
22 C1a C 18.5395 -22.1388
23 C1a C 29.4387 -21.4109
24 X Cl 30.4425 -24.8796
25 X Cl 30.4425 -23.3223
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1 #Down
12 7 13 1 #Up
13 8 14 1
14 9 15 1
15 9 16 1 #Up
16 10 17 1
17 11 18 1 #Up
18 15 19 1
19 15 20 2
20 17 21 1
21 18 22 1
22 21 23 1 #Down
23 7 11 1
24 9 10 1
25 19 21 1
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