ATOM 27
1 C1y C 24.5998 -15.6964
2 C1y C 23.2936 -16.0446
3 C1y C 25.3080 -14.5290
4 C2y C 25.3428 -16.8275
5 C1y C 21.7038 -15.6149
6 O7x O 23.2937 -17.3973
7 O7a O 26.6209 -14.8890
8 C1x C 25.3137 -13.1706
9 C7x C 24.4959 -17.8783
10 C2a C 26.7013 -16.8274
11 C7a C 27.7871 -14.2098
12 C2y C 24.1360 -12.4798
13 O6a O 24.8501 -19.1971
14 C1x C 20.6062 -13.1590
15 O2x O 19.8875 -15.5982
16 C2c C 28.9603 -14.8831
17 O6a O 27.7814 -12.8456
18 C2x C 22.9571 -13.1590
19 C1a C 24.1419 -11.1215
20 C1x C 21.7840 -12.4739
21 C1a C 30.1381 -14.1987
22 C2b C 28.9619 -16.2488
23 C1b C 30.1419 -16.9300
24 O1a O 31.3268 -16.2456
25 C1z C 20.6101 -14.5177
26 C1b C 19.2013 -13.7344
27 O1a O 17.9494 -14.5601
BOND 29
1 4 9 1
2 4 10 2
3 7 11 1
4 8 12 1
5 9 13 2
6 25 14 1
7 25 15 1
8 11 16 1
9 11 17 2
10 12 18 2
11 12 19 1
12 14 20 1
13 6 9 1
14 18 20 1
15 16 21 1
16 1 2 1
17 16 22 2
18 1 3 1
19 22 23 1
20 1 4 1
21 23 24 1
22 2 5 1
23 2 6 1
24 5 25 1
25 5 15 1
26 3 7 1 #Up
27 25 26 1 #Up
28 3 8 1
29 26 27 1
|