ATOM 27
1 C8x C 24.9900 -22.3300
2 C8y C 24.9900 -20.9300
3 C8x C 23.8000 -20.2300
4 C8x C 22.5400 -20.9300
5 C8y C 22.5400 -22.3300
6 C8x C 23.8000 -23.0300
7 O2a O 26.1800 -20.2300
8 C8y C 27.3700 -20.9300
9 C1a C 21.3500 -23.0300
10 C8x C 27.3700 -22.3300
11 C8x C 28.6300 -23.0300
12 C8y C 29.8200 -22.3300
13 C8x C 29.8200 -20.9300
14 C8x C 28.6300 -20.2300
15 C1b C 31.0100 -23.0300
16 N1b N 32.2700 -22.3300
17 C5a C 33.4600 -23.0300
18 C8y C 34.6500 -22.3300
19 N4y N 35.9100 -22.8900
20 N5x N 36.8900 -21.8400
21 C8y C 36.1900 -20.6500
22 C8y C 34.7900 -20.9300
23 X Cl 33.7400 -20.0200
24 C1a C 36.1900 -24.2200
25 C1b C 36.7500 -19.3900
26 C1a C 38.1500 -19.2500
27 O5a O 33.4600 -24.4300
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 2 7 1
8 7 8 1
9 5 9 1
10 8 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 8 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 18 22 2
25 22 23 1
26 19 24 1
27 21 25 1
28 25 26 1
29 17 27 2
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