ATOM 27
1 C1z C 24.8667 -18.2273
2 C1y C 24.8726 -16.8630
3 C1z C 23.6888 -18.9147
4 C1x C 26.0435 -18.9207
5 C1a C 24.9255 -19.3863
6 C1y C 23.6888 -16.1802
7 C1z C 26.0551 -16.1859
8 C1y C 22.5108 -18.2273
9 C7x C 23.1351 -20.0926
10 O1a O 24.2877 -20.2335
11 C1x C 27.2332 -18.2390
12 C1y C 22.5108 -16.8630
13 O7x O 23.1857 -17.4274
14 C1y C 27.2332 -16.8804
15 C1x C 26.0668 -14.8275
16 C1a C 25.4835 -17.6845
17 O2x O 21.3212 -17.5562
18 O6a O 22.1003 -20.7134
19 C7x C 28.4112 -16.2092
20 C1y C 27.2565 -14.1517
21 O7x O 28.4228 -14.8450
22 O6a O 29.5947 -16.8980
23 C8y C 27.2703 -12.7509
24 C8x C 28.4095 -11.9290
25 O2x O 27.9919 -10.5922
26 C8x C 26.5912 -10.5785
27 C8x C 26.1474 -11.9067
BOND 32
1 2 6 1
2 2 7 1
3 3 8 1
4 3 9 1 #Up
5 3 10 1 #Down
6 4 11 1
7 6 12 1
8 6 13 1 #Up
9 7 14 1
10 7 15 1
11 7 16 1 #Up
12 8 17 1
13 9 18 2
14 14 19 1
15 15 20 1
16 19 21 1
17 19 22 2
18 8 12 1
19 9 13 1
20 11 14 1
21 12 17 1
22 20 21 1
23 20 23 1 #Down
24 1 2 1
25 1 3 1
26 1 4 1
27 1 5 1 #Down
28 23 24 2
29 24 25 1
30 25 26 1
31 26 27 2
32 27 23 1
| 
