ATOM 24
1 C2y C 21.9478 -18.5968
2 C2y C 21.9478 -19.9662
3 C1x C 23.1401 -17.9120
4 C1z C 24.3252 -18.5968
5 C1x C 25.4984 -20.6561
6 C1x C 26.6906 -19.9765
7 C1y C 25.5103 -17.9171
8 C1y C 26.6906 -18.6100
9 C1x C 26.7135 -15.8782
10 C1x C 25.5218 -16.5514
11 C1z C 27.8869 -16.5712
12 C1y C 27.8771 -17.9326
13 C1x C 30.2816 -17.9151
14 C1x C 30.3217 -16.6003
15 C1y C 29.0777 -15.9048
16 O1a O 29.0945 -14.5357
17 C1a C 27.8845 -15.2013
18 C1a C 24.3826 -17.2273
19 C1z C 24.3892 -19.9662
20 C1y C 23.1392 -20.6513
21 O2x O 24.3314 -21.3317
22 O1a O 20.7656 -20.6512
23 C3b C 20.7658 -17.9113
24 N3a N 19.5688 -17.2202
BOND 28
1 19 5 1
2 5 6 1
3 6 8 1
4 11 12 1
5 13 14 1
6 14 15 1
7 15 11 1
8 12 13 1
9 7 4 1
10 15 16 1 #Up
11 4 3 1
12 11 17 1 #Up
13 3 1 1
14 1 2 2
15 7 8 1
16 4 18 1 #Up
17 8 12 1
18 11 9 1
19 9 10 1
20 19 20 1
21 19 21 1 #Down
22 20 21 1 #Down
23 10 7 1
24 2 22 1
25 2 20 1
26 1 23 1
27 4 19 1
28 23 24 3
|