ATOM 23
1 C8y C 25.4036 -16.8413
2 C8y C 26.7008 -16.1459
3 C8y C 24.2057 -16.1342
4 O2x O 25.6900 -18.2144
5 C8y C 27.6650 -17.0926
6 C8y C 26.6366 -14.7434
7 C8y C 24.2117 -14.7377
8 C8y C 23.0079 -16.8296
9 C8y C 27.0807 -18.3664
10 C8x C 29.0674 -16.9581
11 O7x O 25.4270 -14.0422
12 O6a O 27.8462 -14.0539
13 C8x C 23.0079 -14.0365
14 C8x C 21.7925 -16.1342
15 O1a O 23.0079 -18.2320
16 C8x C 27.8929 -19.5175
17 C8y C 29.8796 -18.1093
18 C8y C 21.7925 -14.7377
19 C8y C 29.2953 -19.3831
20 O1a O 31.2703 -17.9748
21 O2a O 20.5830 -14.0365
22 O1a O 30.1016 -20.5226
23 C1a C 19.3734 -14.7318
BOND 26
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 4 9 1
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 8 14 2
14 8 15 1
15 9 16 1
16 10 17 2
17 13 18 2
18 16 19 2
19 17 20 1
20 18 21 1
21 19 22 1
22 21 23 1
23 5 9 2
24 7 11 1
25 14 18 1
26 17 19 1
|