ATOM 30
1 C8y C 26.7678 -21.9798
2 C8y C 25.5971 -21.2434
3 C8y C 26.7678 -23.3110
4 C8x C 27.9326 -21.2200
5 C8y C 24.4323 -21.9798
6 C2b C 25.5914 -19.8584
7 S2x S 25.5971 -24.0614
8 C8x C 27.9326 -24.0614
9 C8y C 29.1151 -21.9798
10 C8y C 24.4323 -23.3110
11 C8x C 23.2602 -21.2200
12 C1b C 26.7853 -19.1513
13 C8x C 29.1151 -23.3110
14 C1d C 30.3326 -21.1896
15 C8x C 23.3435 -24.0251
16 C8x C 22.0778 -21.9798
17 C1b C 26.7796 -17.7606
18 X F 31.6883 -20.3280
19 X F 31.7948 -22.0876
20 X F 30.3326 -19.7463
21 C8x C 22.0778 -23.2220
22 N1y N 27.9737 -17.0592
23 C1x C 29.1807 -17.7478
24 C1x C 28.0261 -15.6744
25 C1x C 30.3749 -17.0535
26 C1x C 29.1560 -14.9790
27 N1y N 30.3689 -15.6685
28 C1b C 31.5514 -14.9604
29 C1b C 32.7525 -15.6568
30 O1a O 33.9478 -14.9544
BOND 33
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 2
16 12 17 1
17 14 18 1
18 14 19 1
19 14 20 1
20 15 21 2
21 17 22 1
22 22 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 25 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 7 10 1
31 9 13 1
32 16 21 1
33 26 27 1
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