ATOM 28
1 C8y C 29.8261 -17.7856
2 C8y C 31.0280 -17.0797
3 C8y C 28.6126 -17.0855
4 O2x O 29.8320 -19.1918
5 C8y C 31.0338 -15.6912
6 O7x O 32.2298 -17.7856
7 O2x O 27.3990 -17.7856
8 C8x C 28.6184 -15.6852
9 C1y C 28.6126 -19.8917
10 C8x C 29.8320 -14.9910
11 C8x C 32.2415 -15.0027
12 C8y C 33.4375 -17.0914
13 C1y C 27.3990 -19.1858
14 C1b C 28.6010 -21.2862
15 C8x C 33.4433 -15.6969
16 O6a O 34.6510 -17.7973
17 C8y C 26.1856 -19.8860
18 O1a O 29.8144 -22.0038
19 C8x C 26.1856 -21.2862
20 C8x C 24.9720 -19.1858
21 C8y C 24.9720 -21.9921
22 C8y C 23.7527 -19.8860
23 C8y C 23.7527 -21.2862
24 O2a O 24.9720 -23.3982
25 O2a O 22.5391 -19.1858
26 O1a O 22.5391 -21.9921
27 C1a C 26.1913 -24.0924
28 C1a C 21.3257 -19.8860
BOND 31
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 9 14 1 #Down
14 11 15 2
15 12 16 2
16 13 17 1
17 14 18 1
18 17 19 1
19 17 20 2
20 19 21 2
21 20 22 1
22 21 23 1
23 21 24 1
24 22 25 1
25 23 26 1
26 24 27 1
27 25 28 1
28 8 10 2
29 9 13 1
30 12 15 1
31 22 23 2
|