ATOM 28
1 C7a C 30.7300 -14.7700
2 C1a C 31.9200 -14.0700
3 O7a O 30.7300 -16.1700
4 O6a O 29.5400 -14.0700
5 C8y C 29.8900 -18.2700
6 C1y C 29.6100 -16.9400
7 C8y C 31.0800 -18.9700
8 C8y C 28.7000 -18.9000
9 C1y C 28.2100 -16.7300
10 C8y C 31.0800 -20.3000
11 O7x O 32.2700 -18.2700
12 O2x O 27.6500 -17.9900
13 C8x C 28.7000 -20.3000
14 C1d C 26.9500 -15.8900
15 C8x C 29.8200 -21.0000
16 C8x C 32.2700 -21.0000
17 C8y C 33.4600 -18.9700
18 O7a O 26.9500 -14.5600
19 C8x C 33.4600 -20.3700
20 O6a O 34.6500 -18.2700
21 C7a C 25.5500 -13.7200
22 C2b C 24.3600 -14.4200
23 O6a O 25.5500 -12.3200
24 C2c C 23.2400 -13.7200
25 C1a C 21.9800 -14.4200
26 C1a C 23.2400 -12.3200
27 C1a C 25.9000 -17.1500
28 C1a C 25.4800 -15.8900
BOND 30
1 1 3 1
2 1 2 1
3 5 6 1
4 5 7 1
5 5 8 2
6 6 9 1
7 6 3 1 #Down
8 7 10 2
9 7 11 1
10 8 12 1
11 8 13 1
12 9 14 1
13 10 15 1
14 10 16 1
15 11 17 1
16 14 18 1
17 16 19 2
18 17 20 2
19 18 21 1
20 21 22 1
21 21 23 2
22 22 24 2
23 24 25 1
24 24 26 1
25 9 12 1
26 13 15 2
27 17 19 1
28 1 4 2
29 14 27 1
30 14 28 1
|