ATOM 27
1 C8y C 33.4830 -17.6822
2 C2y C 34.6884 -17.0013
3 C8x C 33.4830 -19.0864
4 C8x C 32.2769 -16.9890
5 O2x O 34.2404 -15.6686
6 N2x N 36.0869 -16.9779
7 C8y C 32.2769 -19.7856
8 C8x C 31.0592 -17.6822
9 C1x C 35.3628 -14.8298
10 C1y C 36.5073 -15.6398
11 C8y C 31.0651 -19.0864
12 X Cl 32.2769 -21.1840
13 C1a C 37.8293 -15.1967
14 O2a O 29.8647 -19.7856
15 C1b C 28.6529 -19.0923
16 C1b C 27.4468 -19.7915
17 C1b C 26.2407 -19.0923
18 C1b C 25.0229 -19.7972
19 C1b C 23.8111 -19.0923
20 C1b C 22.5933 -19.7972
21 C1b C 21.3872 -19.0923
22 C8y C 20.1774 -19.8005
23 O2x O 19.0391 -18.9719
24 C8x C 19.7557 -21.1296
25 N5x N 17.9103 -19.8047
26 C8y C 18.3559 -21.1394
27 C1a C 17.5329 -22.2791
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 10 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 2
24 23 25 1
25 24 26 1
26 26 27 1
27 8 11 2
28 9 10 1
29 25 26 2
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