ATOM 28
1 O2a O 30.2777 -19.0721
2 C1y C 28.8703 -20.1378
3 O2x O 27.6748 -19.4351
4 C1y C 28.8628 -21.5319
5 C1y C 26.4598 -20.1236
6 C1y C 27.6499 -22.2173
7 O1a O 30.0634 -22.2373
8 C1y C 26.4475 -21.5148
9 C1b C 25.2645 -19.4210
10 O1a O 27.6426 -23.6114
11 O1a O 25.2396 -22.2032
12 O1a O 24.0631 -20.1044
13 C1y C 29.0799 -16.9858
14 C1y C 29.0799 -15.5977
15 C1y C 30.2811 -17.6860
16 C1y C 27.7605 -17.4054
17 C2y C 30.2811 -14.9035
18 C1x C 27.7605 -15.1712
19 O2x O 31.4825 -16.9918
20 C1y C 26.9567 -16.2860
21 C2x C 31.4825 -15.5977
22 C7a C 30.2811 -13.5096
23 O1a O 25.3581 -17.4054
24 O7a O 31.4766 -12.8270
25 O6a O 29.0799 -12.8153
26 C1a C 32.6778 -13.5153
27 O1a O 25.5587 -16.2847
28 C1b C 26.5457 -18.0918
BOND 30
1 4 7 1 #Down
2 5 8 1
3 5 9 1 #Up
4 6 10 1 #Up
5 8 11 1 #Down
6 6 8 1
7 9 12 1
8 2 1 1 #Up
9 2 3 1
10 2 4 1
11 3 5 1
12 13 14 1
13 13 15 1
14 13 16 1
15 14 17 1
16 14 18 1
17 15 19 1
18 16 20 1
19 17 21 2
20 17 22 1
21 28 23 1
22 22 24 1
23 22 25 2
24 24 26 1
25 18 20 1
26 19 21 1
27 15 1 1 #Up
28 20 27 1 #Up
29 4 6 1
30 16 28 1 #Up
| 
