ATOM 27
1 C8y C 18.8846 -15.1831
2 C8y C 20.1275 -15.8237
3 C8y C 18.8846 -13.7352
4 O2a O 17.7057 -15.8302
5 C8x C 21.3511 -15.1190
6 O2a O 20.1338 -17.0740
7 C8x C 20.1403 -13.0177
8 O2a O 17.7122 -13.0177
9 C1y C 16.4884 -16.5221
10 C8y C 21.3511 -13.7289
11 C1a C 21.3383 -17.7724
12 C1a C 17.7185 -11.7222
13 O2x O 15.2713 -15.8237
14 C1y C 16.4884 -17.9187
15 C2b C 22.5619 -13.0368
16 C1y C 14.0668 -16.5221
17 C1y C 15.2713 -18.6107
18 O1a O 17.6994 -18.6107
19 C2b C 22.5684 -11.6402
20 C1y C 14.0668 -17.9187
21 C1b C 12.8688 -15.8237
22 O1a O 15.2713 -20.0008
23 C6a C 23.7792 -10.9483
24 O1a O 12.8688 -18.6107
25 O1a O 11.8054 -16.7207
26 O6a O 24.9772 -11.6596
27 O6a O 23.7792 -9.5581
BOND 28
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 9 4 1 #Up
9 5 10 2
10 6 11 1
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 13 16 1
16 14 17 1
17 14 18 1 #Down
18 15 19 2
19 16 20 1
20 16 21 1 #Up
21 17 22 1 #Up
22 19 23 1
23 20 24 1 #Down
24 21 25 1
25 23 26 1
26 23 27 2
27 7 10 1
28 17 20 1
|