ATOM 30
1 C8y C 25.5500 -16.0300
2 C8y C 26.9500 -16.5200
3 C8y C 25.5500 -14.5600
4 C8y C 24.2900 -16.7300
5 C1b C 26.9500 -17.8500
6 C8x C 27.7900 -15.3300
7 N4x N 26.9500 -14.1400
8 C8x C 24.3600 -13.8600
9 C8x C 23.1000 -15.9600
10 O1a O 24.2900 -18.2000
11 C2c C 28.1400 -18.5500
12 C8x C 23.1000 -14.5600
13 S2a S 28.1400 -19.8800
14 N2b N 29.3300 -17.9200
15 C1y C 28.2100 -21.2800
16 O2a O 30.4500 -17.2200
17 O2x O 27.0200 -21.9800
18 C1y C 29.3300 -21.9800
19 S4a S 31.6400 -18.1300
20 C1y C 27.0200 -23.2400
21 C1y C 29.3300 -23.2400
22 O1a O 30.4500 -21.2800
23 O1d O 32.7600 -16.9400
24 O1d O 30.5900 -19.3200
25 O1d O 32.9700 -18.9700
26 C1y C 28.1400 -23.9400
27 C1b C 25.9000 -23.9400
28 O1a O 30.4500 -23.9400
29 O1a O 28.1400 -25.2700
30 O1a O 24.7800 -23.3100
BOND 32
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 8 12 2
12 11 13 1
13 11 14 2
14 15 13 1 #Up
15 14 16 1
16 15 17 1
17 15 18 1
18 16 19 1
19 17 20 1
20 18 21 1
21 18 22 1 #Down
22 19 23 2
23 19 24 2
24 19 25 1
25 20 26 1
26 20 27 1 #Up
27 21 28 1 #Up
28 26 29 1 #Down
29 27 30 1
30 6 7 1
31 9 12 1
32 21 26 1
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