ATOM 26
1 C1z C 27.5606 -19.8341
2 C1z C 28.7243 -20.5085
3 C1z C 27.8577 -18.5130
4 C1x C 26.3911 -20.5028
5 C1x C 28.6329 -19.1865
6 C2y C 28.7243 -21.8471
7 C1x C 29.7321 -19.6186
8 N1x N 30.8795 -20.5168
9 C1y C 29.1904 -18.4547
10 C1y C 28.2013 -17.2151
11 C5x C 26.5191 -18.5886
12 C5x C 26.3911 -21.8471
13 C1x C 30.8819 -19.1865
14 C2y C 27.5606 -22.5228
15 O2a O 29.8835 -22.5169
16 X Cl 29.8544 -17.2151
17 C2y C 27.0725 -16.4813
18 O1a O 29.1438 -16.2481
19 C2x C 26.0299 -17.3316
20 O5x O 25.5534 -19.5313
21 O5x O 25.2272 -22.5169
22 O2a O 27.5548 -23.8614
23 C1a C 29.8835 -23.8556
24 O2a O 27.0785 -15.1427
25 C1a C 28.9986 -24.8100
26 C1a C 25.8027 -14.5438
BOND 29
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 2 8 1 #Down
8 3 9 1
9 3 10 1
10 3 11 1 #Up
11 4 12 1
12 5 13 1
13 6 14 2
14 6 15 1
15 9 16 1 #Up
16 10 17 1
17 10 18 1 #Up
18 11 19 1
19 11 20 2
20 12 21 2
21 14 22 1
22 15 23 1
23 17 24 1
24 22 25 1
25 24 26 1
26 7 9 1
27 8 13 1
28 12 14 1
29 17 19 2
|