ATOM 30
1 C8x C 26.5300 -18.0600
2 C8y C 26.5300 -19.4600
3 N5x N 25.2700 -17.3600
4 C8y C 24.0800 -18.0600
5 C8y C 24.0800 -19.4600
6 N5x N 25.2700 -20.1600
7 C8x C 22.8900 -17.3600
8 C8y C 21.7000 -18.0600
9 C8x C 21.7000 -19.4600
10 C8x C 22.8900 -20.1600
11 X Cl 20.5100 -17.3600
12 O2a O 27.7200 -20.1600
13 C8y C 28.9100 -19.4600
14 C8x C 30.1700 -20.1600
15 C8x C 31.3600 -19.4600
16 C8y C 31.3600 -18.0600
17 C8x C 30.1700 -17.3600
18 C8x C 28.9100 -18.0600
19 O2a O 32.6200 -17.3600
20 C1c C 33.8100 -18.0600
21 C7a C 35.0700 -17.3600
22 O7a O 36.2600 -18.0600
23 C1a C 33.8100 -19.4600
24 O6a O 35.0700 -15.9600
25 C1b C 37.4500 -17.3600
26 C1y C 38.6400 -18.0600
27 O2x O 39.9000 -17.5000
28 C1x C 40.8800 -18.5500
29 C1x C 40.1100 -19.7400
30 C1x C 38.7800 -19.4600
BOND 33
1 1 2 2
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 2 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 2 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 19 20 1
23 20 21 1 #Up
24 21 22 1
25 20 23 1 #Down
26 21 24 2
27 22 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 26 30 1
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