ATOM 23
1 C1x C 18.6450 -14.5520
2 C1y C 18.6450 -15.9172
3 C1y C 19.8054 -16.5998
4 C1y C 21.0341 -15.9172
5 C1z C 21.0341 -14.5520
6 C1x C 19.8054 -13.8695
7 C1z C 17.4847 -16.5998
8 C1y C 17.4847 -17.9649
9 C1x C 18.6450 -18.6475
10 C1x C 19.8054 -17.9649
11 C1x C 16.2560 -15.9172
12 C1x C 15.0956 -16.5998
13 C1y C 15.0956 -17.9649
14 C1z C 16.2560 -18.6475
15 C1a C 21.0341 -13.1869
16 C1a C 17.4847 -15.2346
17 C4a C 15.5735 -19.8079
18 C1a C 16.9386 -19.8079
19 O1a O 13.9353 -18.6475
20 O4a O 14.2136 -19.8079
21 C1x C 23.3891 -15.9172
22 C1x C 23.3891 -14.5520
23 C1x C 22.2116 -13.8722
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 7 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 8 14 1
17 5 15 1
18 7 16 1
19 14 17 1 #Up
20 14 18 1 #Down
21 13 19 1 #Up
22 17 20 2
23 4 21 1
24 21 22 1
25 22 23 1
26 5 23 1
|