ATOM 29
1 C1z C 28.9800 -14.4200
2 N1y N 28.9800 -15.8200
3 C1y C 27.6500 -14.0000
4 C5x C 30.1700 -13.7200
5 S3x S 29.6800 -15.6100
6 C1y C 27.6500 -16.2400
7 C5x C 30.1700 -16.5200
8 C1z C 26.8100 -15.1200
9 O1a O 27.6500 -12.6000
10 N1y N 31.4300 -14.4200
11 O5x O 30.1700 -12.3200
12 S3x S 30.6600 -14.6300
13 N1x N 26.8100 -17.3600
14 C1z C 31.3600 -15.8200
15 O5x O 30.1700 -17.9200
16 C8y C 25.4800 -15.5400
17 O1a O 26.1100 -13.8600
18 C1a C 32.7600 -14.0700
19 C8y C 25.4800 -16.9400
20 C1a C 32.6200 -16.5200
21 C8x C 24.2900 -14.8400
22 C8y C 24.2900 -17.6400
23 C8y C 23.0300 -15.5400
24 C8y C 23.0300 -16.9400
25 O2a O 24.2900 -19.0400
26 X Cl 21.8400 -14.8400
27 O2a O 21.8400 -17.6400
28 C1a C 23.0300 -19.7400
29 C1a C 20.6500 -16.9400
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1
16 8 17 1 #Down
17 10 18 1
18 13 19 1
19 14 20 1
20 16 21 1
21 19 22 1
22 21 23 2
23 22 24 2
24 22 25 1
25 23 26 1
26 24 27 1
27 25 28 1
28 27 29 1
29 6 8 1
30 10 14 1
31 14 12 1 #Down
32 16 19 2
33 23 24 1
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