ATOM 22
1 C1x C 6.7900 -17.7100
2 C5x C 6.7900 -19.1100
3 C2x C 8.0024 -19.8100
4 C2y C 9.2149 -19.1100
5 C1z C 9.2149 -17.7100
6 C1y C 8.0024 -17.0100
7 C1x C 10.4273 -19.8100
8 C1x C 11.6397 -19.1100
9 C1y C 11.6397 -17.7100
10 C1y C 10.4273 -17.0100
11 C1y C 12.8522 -17.0100
12 C1z C 12.8522 -15.6100
13 C1x C 11.6397 -14.9100
14 C1x C 10.4273 -15.6100
15 C1x C 15.2770 -17.0100
16 C1x C 15.2770 -15.6100
17 C1y C 14.0646 -14.9100
18 O5x O 5.5776 -19.8100
19 C1a C 9.2149 -16.3100
20 C1a C 12.8522 -14.2100
21 O1a O 14.0646 -13.5100
22 O1a O 8.0024 -15.2602
BOND 25
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 5 19 1 #Up
23 12 20 1 #Up
24 17 21 1 #Up
25 6 22 1 #Down
|