ATOM 19
1 C1y C 27.3926 -18.6382
2 C1y C 26.2077 -19.3214
3 C1z C 27.3926 -17.2706
4 C1x C 29.7498 -18.6441
5 C1y C 25.0354 -18.6499
6 C1x C 26.2136 -20.6830
7 C1x C 28.5836 -16.5876
8 C1x C 26.2019 -16.5993
9 C1a C 27.3926 -15.7924
10 C1x C 29.7557 -17.2766
11 C8y C 23.8622 -19.3273
12 C1x C 25.0937 -17.2823
13 C1x C 25.0414 -21.3545
14 C8y C 23.8622 -20.6772
15 C8x C 22.6959 -18.6675
16 C8x C 22.6959 -21.3604
17 C8x C 21.5401 -19.3273
18 C8y C 21.5401 -20.6772
19 O1a O 20.3856 -21.3370
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 2
14 11 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 18 19 1
19 7 10 1
20 8 12 1
21 13 14 1
22 17 18 1
|