ATOM 24
1 C8x C 15.8200 -20.2300
2 C8y C 15.8200 -21.6300
3 C8x C 17.0324 -22.3300
4 C8x C 18.2449 -21.6300
5 C8y C 18.2449 -20.2300
6 C8x C 17.0324 -19.5300
7 S4a S 14.6076 -22.3300
8 O1d O 13.2551 -23.0300 #-
9 O1d O 13.8381 -21.1755
10 O1d O 15.3908 -23.5052
11 N2b N 19.4824 -19.5300
12 N2b N 20.6949 -20.2300
13 C8y C 21.9073 -19.5300
14 C8y C 23.1218 -20.2312
15 C8y C 24.3342 -19.5312
16 C8y C 24.3342 -18.1312
17 C8x C 23.1197 -17.4300
18 C8x C 21.9073 -18.1300
19 C8x C 23.1218 -21.6312
20 C8x C 24.3342 -22.3312
21 C8x C 25.5466 -21.6312
22 C8x C 25.5466 -20.2312
23 O1a O 25.5663 -17.4196
24 Z Na 10.7100 -22.9600 #+
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 7 10 2
11 5 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 14 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 15 22 1
25 16 23 1
|