ATOM 30
1 C1z C 29.0139 -14.4672
2 N1y N 28.9964 -15.8666
3 C1y C 27.6844 -14.0240
4 C5x C 30.2324 -13.7791
5 S3x S 29.6961 -15.6741
6 C1y C 27.6670 -16.2921
7 C5x C 30.1976 -16.5719
8 C1z C 26.8507 -15.1552
9 O1a O 27.6727 -12.6188
10 N1y N 31.4277 -14.4905
11 O5x O 30.2207 -12.3740
12 S3x S 30.7048 -14.6655
13 N1y N 26.8390 -17.4174
14 C1z C 31.4160 -15.8899
15 O5x O 30.1800 -17.9713
16 C8y C 25.5156 -15.5751
17 O1a O 26.1395 -13.9308
18 C1a C 32.7747 -14.1116
19 C8y C 25.5096 -16.9743
20 C1a C 32.6230 -16.5836
21 C8x C 24.3086 -14.8754
22 C8y C 24.3086 -17.6740
23 C8y C 23.0900 -15.5691
24 C8y C 23.0900 -16.9743
25 O2a O 24.3027 -19.0734
26 X Cl 21.8772 -14.8754
27 O2a O 21.8830 -17.6740
28 C1a C 23.0900 -19.7615
29 C1a C 20.6703 -16.9743
30 C1a C 26.8434 -18.7545
BOND 34
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
34 13 30 1
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