ATOM 19
1 C8y C 25.3275 -17.0141
2 C8y C 25.3218 -15.6152
3 C8y C 24.1153 -17.7251
4 C8y C 26.5399 -17.7077
5 C8y C 24.0977 -14.9218
6 O2x O 26.5282 -14.9158
7 C8y C 22.9088 -17.0374
8 O2a O 24.1270 -19.1239
9 C8x C 27.7462 -17.0024
10 O5x O 26.5399 -19.1123
11 C8y C 22.9029 -15.6386
12 O2a O 24.0920 -13.5229
13 C8y C 27.7404 -15.6095
14 C8x C 21.5741 -17.4745
15 C1a C 22.9262 -19.8408
16 O2x O 21.5624 -15.2015
17 C1a C 25.2984 -12.8119
18 C1a C 28.9527 -14.9042
19 C8x C 20.7406 -16.3439
BOND 21
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 4 10 2
10 5 11 2
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 11 16 1
16 12 17 1
17 13 18 1
18 14 19 2
19 7 11 1
20 9 13 2
21 16 19 1
|