ATOM 26
1 C1y C 21.7242 -16.5975
2 S2a S 21.7065 -15.1599
3 O2x O 20.5730 -17.2519
4 C1y C 22.8694 -17.2577
5 C2c C 21.7125 -13.8451
6 C1y C 20.5730 -18.5783
7 C1y C 22.8636 -18.5842
8 O1a O 24.0031 -16.6092
9 C1b C 20.4561 -13.1264
10 N2b N 22.8577 -13.1672
11 C1y C 21.7182 -19.2445
12 C1b C 19.4276 -19.2621
13 O1a O 23.9973 -19.2561
14 C1b C 19.1997 -13.8393
15 O2a O 23.9914 -12.5011
16 O1a O 21.7065 -20.5652
17 O1a O 18.2765 -18.6076
18 C1b C 17.9433 -13.1206
19 S4a S 25.2361 -13.4302
20 S4a S 16.6754 -13.8334
21 O1d O 26.3054 -12.2149
22 O1d O 24.1375 -14.5756
23 O1d O 26.5333 -14.2425
24 C1a C 15.4190 -13.0972
25 O1d O 17.7155 -14.8618
26 O1d O 15.6527 -14.8618
BOND 26
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 10 15 1
15 11 16 1 #Down
16 12 17 1
17 14 18 1
18 15 19 1
19 18 20 1
20 19 21 2
21 19 22 2
22 19 23 1
23 20 24 1
24 20 25 2
25 20 26 2
26 7 11 1
|