ATOM 23
1 C2y C 37.5200 -22.9600
2 C1x C 37.5200 -24.3600
3 C1x C 38.7324 -25.0600
4 C1y C 39.9449 -24.3600
5 C1x C 39.9449 -22.9600
6 C5x C 38.7324 -22.2600
7 O5x O 38.7324 -20.8602
8 C1a C 41.1760 -25.0710
9 C2c C 36.3076 -22.2600
10 C1b C 35.1121 -22.9504
11 C1a C 36.3075 -20.8602
12 O2a O 33.9247 -22.2649
13 C1y C 32.7335 -22.9529
14 O2x O 31.5440 -22.2662
15 C1y C 30.3316 -22.9662
16 C1y C 30.3316 -24.3662
17 C1y C 31.5211 -25.0529
18 C1y C 32.7335 -24.3529
19 O1a O 33.9688 -25.0662
20 O1a O 31.5213 -26.4598
21 O1a O 29.1059 -25.0742
22 C1b C 29.1003 -22.2553
23 O1a O 27.9007 -22.9480
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 4 8 1
9 1 9 2
10 9 10 1
11 9 11 1
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 18 19 1
21 17 20 1
22 16 21 1
23 15 22 1
24 22 23 1
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