ATOM 21
1 C1z C 28.6360 -18.3396
2 N1y N 27.8073 -19.4774
3 C1x C 27.8073 -17.1960
4 C5x C 30.0364 -18.4855
5 S3x S 28.6243 -19.7401
6 C1y C 26.4653 -19.0458
7 C5x C 28.3793 -20.7670
8 C2y C 26.4653 -17.6336
9 N1y N 30.6082 -19.7751
10 O5x O 31.0341 -17.4761
11 S3x S 29.7738 -19.5008
12 C1y C 25.2459 -19.7460
13 C1z C 29.7797 -20.9188
14 O5x O 27.3697 -21.7590
15 C2x C 25.2459 -16.9275
16 C1a C 32.0146 -19.8393
17 C2x C 24.0263 -19.0458
18 O1a O 25.2342 -21.1581
19 C1b C 30.4799 -22.1324
20 C2x C 24.0263 -17.6336
21 O1a O 31.8802 -22.1324
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 7 14 2
14 8 15 2
15 9 16 1
16 12 17 1
17 12 18 1 #Up
18 13 19 1
19 15 20 1
20 19 21 1
21 6 8 1
22 9 13 1
23 13 11 1 #Down
24 17 20 2
|