ATOM 27
1 C8y C 25.7356 -17.0575
2 N5x N 25.7356 -18.4604
3 C8y C 24.5432 -19.1618
4 C8x C 23.2806 -18.4604
5 C8y C 23.2806 -17.0575
6 N5x N 24.5432 -16.3561
7 O2a O 22.0882 -16.3561
8 C1a C 20.8958 -17.0575
9 O2a O 24.5432 -20.5646
10 C1a C 25.7356 -21.2660
11 N1b N 26.9280 -16.3561
12 C5a C 28.1905 -17.0575
13 N1b N 29.3829 -16.3561
14 S4a S 30.5753 -17.0575
15 C8y C 31.8378 -16.3561
16 O5a O 28.1905 -18.4604
17 O3c O 31.2767 -18.2499
18 O3c O 29.8739 -18.2499
19 C8y C 31.9781 -14.9533
20 N5x N 33.3108 -14.6727
21 C8y C 34.0122 -15.8651
22 N4y N 33.1004 -16.9173
23 C8x C 35.4150 -16.1457
24 C8x C 35.8359 -17.4784
25 C8x C 34.9240 -18.5305
26 C8x C 33.5212 -18.2499
27 X Cl 30.9560 -14.0362
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 3 9 1
10 9 10 1
11 1 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 12 16 2
17 14 17 2
18 14 18 2
19 15 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 15 22 1
24 21 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 22 26 1
29 19 27 1
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