ATOM 30
1 C8y C 27.7900 -18.7600
2 C8y C 29.0500 -18.0600
3 C8y C 27.7900 -20.0900
4 O2x O 26.5300 -18.2700
5 C8y C 30.2400 -18.8300
6 O2a O 29.0500 -16.7300
7 C8x C 28.9100 -20.8600
8 C1x C 26.4600 -20.5100
9 C1y C 25.6200 -19.3200
10 C8y C 30.2400 -20.2300
11 O7x O 31.4300 -18.2000
12 C1y C 27.5800 -15.8900
13 C1d C 24.2900 -19.3200
14 C8x C 31.3600 -20.9300
15 C8y C 32.6200 -18.9000
16 O2x O 26.3900 -16.5900
17 C1y C 27.5800 -14.4900
18 C1a C 23.5200 -20.4400
19 O1a O 23.0300 -19.3200
20 C1a C 23.5200 -18.0600
21 C8x C 32.6200 -20.3000
22 O6a O 33.8800 -18.2700
23 C1y C 25.2000 -15.8900
24 C1y C 26.3900 -13.7900
25 O1a O 28.8400 -13.7900
26 C1y C 25.2000 -14.4900
27 C1b C 24.0100 -16.5900
28 O1a O 24.0100 -13.7900
29 O1a O 22.7500 -15.8900
30 O1a O 26.3900 -12.3900
BOND 33
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 12 6 1 #Down
12 9 13 1 #Up
13 10 14 1
14 11 15 1
15 12 16 1
16 12 17 1
17 13 18 1
18 13 19 1
19 13 20 1
20 14 21 2
21 15 22 2
22 16 23 1
23 17 24 1
24 17 25 1 #Up
25 23 26 1
26 23 27 1 #Down
27 26 28 1 #Up
28 27 29 1
29 7 10 1
30 8 9 1
31 15 21 1
32 24 26 1
33 24 30 1 #Down
| 
