ATOM 20
1 C1z C 25.2508 -15.4875
2 C1y C 25.2449 -16.8862
3 C8y C 26.4688 -14.7882
4 C1x C 24.0386 -14.7825
5 C1a C 25.2392 -14.0831
6 C1z C 24.0386 -17.5856
7 C1x C 26.4572 -17.5915
8 C8y C 27.6752 -15.4992
9 C8x C 26.4805 -13.3895
10 C1x C 22.8207 -15.4875
11 C1x C 22.8207 -16.8862
12 C6a C 23.3277 -18.7977
13 C1a C 24.8841 -19.0776
14 C1x C 27.6752 -16.8979
15 C8x C 28.8932 -14.8058
16 C8y C 27.6985 -12.7078
17 O6a O 21.9290 -18.7977
18 O6a O 24.0211 -20.0099
19 C8x C 28.9049 -13.4128
20 O1a O 27.7102 -11.3033
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 1
10 6 11 1
11 6 12 1 #Up
12 6 13 1 #Down
13 7 14 1
14 8 15 1
15 9 16 2
16 12 17 2
17 12 18 1
18 15 19 2
19 16 20 1
20 8 14 1
21 10 11 1
22 16 19 1
|