ATOM 27
1 C8y C 26.7932 -17.7782
2 C8y C 25.5036 -18.5233
3 C8y C 25.5047 -20.0117
4 C8x C 26.7955 -20.7550
5 C8y C 28.0851 -20.0099
6 C8x C 28.0840 -18.5215
7 C2y C 24.2139 -16.2879
8 C2y C 24.2139 -17.7782
9 C1y C 26.7976 -16.2879
10 C1y C 25.5059 -15.5332
11 C8x C 19.7432 -17.7972
12 C8x C 20.8608 -18.4277
13 C8y C 21.9785 -17.7878
14 C5x C 23.0962 -18.4277
15 C8x C 19.7487 -16.2976
16 C8y C 20.8514 -15.6478
17 C8y C 21.9785 -16.2879
18 C5x C 23.0868 -15.6384
19 O2a O 20.8418 -14.3488
20 O5x O 23.0868 -14.3391
21 O5x O 23.1029 -19.7173
22 O1a O 24.2045 -20.7397
23 O1a O 25.5059 -14.1289
24 O1a O 28.0166 -15.5907
25 C1b C 29.3016 -20.7115
26 O1a O 30.5094 -20.0039
27 C1a C 19.6386 -13.6658
BOND 30
1 14 8 1
2 1 2 2
3 11 15 2
4 2 3 1
5 15 16 1
6 3 4 2
7 16 17 2
8 7 8 2
9 17 18 1
10 18 7 1
11 8 2 1
12 16 19 1
13 1 9 1
14 18 20 2
15 13 17 1
16 9 10 1
17 14 21 2
18 10 7 1
19 3 22 1
20 4 5 1
21 5 6 2
22 11 12 1
23 6 1 1
24 10 23 1 #Up
25 12 13 2
26 9 24 1 #Down
27 5 25 1
28 13 14 1
29 25 26 1
30 19 27 1
|