ATOM 23
1 C2y C 24.8268 -15.3244
2 C1z C 23.6148 -16.0179
3 C2y C 26.0330 -16.0296
4 C5x C 24.8384 -13.9258
5 C1y C 23.6031 -17.4163
6 C1x C 22.4086 -15.3186
7 C1a C 23.5974 -14.6134
8 C5x C 27.2509 -15.3477
9 C1x C 26.0330 -17.4279
10 C2y C 26.0563 -13.2382
11 O5x O 23.6324 -13.2149
12 C1x C 24.8153 -18.1272
13 C1z C 22.4086 -18.1214
14 C1x C 21.1907 -16.0179
15 C2y C 27.2625 -13.9492
16 O5x O 28.4630 -16.0527
17 O1a O 26.0680 -11.8339
18 C1x C 21.1907 -17.4163
19 C1a C 23.1141 -19.6833
20 C1a C 21.8899 -19.6833
21 C1c C 28.4804 -13.2558
22 C1a C 29.6926 -13.9667
23 C1a C 28.4921 -11.8513
BOND 25
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 5 13 1
13 6 14 1
14 8 15 1
15 8 16 2
16 10 17 1
17 13 18 1
18 13 19 1
19 13 20 1
20 15 21 1
21 21 22 1
22 21 23 1
23 9 12 1
24 10 15 2
25 14 18 1
|