ATOM 34
1 C1x C 20.8564 -13.6452
2 C1x C 20.8564 -15.0449
3 S2x S 22.0684 -15.7447
4 C2y C 23.2806 -15.0449
5 C2y C 23.2806 -13.6452
6 S2x S 22.0684 -12.9454
7 C1y C 24.6117 -15.4773
8 N1y N 25.4344 -14.3450
9 C5x C 24.6117 -13.2128
10 O5x O 25.0427 -11.8863
11 C8y C 26.8047 -14.3450
12 C8x C 27.5046 -15.5571
13 C8x C 28.9042 -15.5571
14 C8y C 29.6040 -14.3450
15 C8y C 28.9042 -13.1330
16 N5x N 27.5046 -13.1330
17 C8x C 31.0036 -14.3450
18 C8x C 31.7034 -13.1330
19 C8y C 31.0036 -11.9208
20 N5x N 29.6040 -11.9208
21 X Cl 31.7144 -10.6900
22 O7a O 25.3351 -16.6768
23 C7a C 24.6353 -17.8890
24 N1y N 25.3351 -19.1011
25 O6a O 23.2359 -17.8890
26 C1x C 24.6325 -20.3181
27 C1x C 25.3325 -21.5305
28 N1y N 26.7325 -21.5305
29 C1x C 27.4351 -20.3135
30 C1x C 26.7351 -19.1011
31 C5a C 27.4472 -22.7682
32 C1b C 28.8399 -22.7680
33 O5a O 26.7534 -23.9701
34 C1a C 29.5324 -23.9668
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 9 10 2
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 15 20 1
24 19 21 1
25 7 22 1
26 22 23 1
27 23 24 1
28 23 25 2
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 24 30 1
35 28 31 1
36 31 32 1
37 31 33 2
38 32 34 1
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