ATOM 22
1 C1y C 24.6822 -16.3532
2 C1y C 26.0795 -16.4057
3 O7x O 24.2798 -17.6958
4 C2x C 23.7951 -15.2651
5 C1y C 26.9332 -15.2241
6 C2y C 26.5377 -17.6566
7 C7x C 25.4216 -18.4963
8 C2y C 22.4116 -15.4018
9 C1x C 26.6113 -13.8690
10 O1a O 28.2916 -15.5141
11 C2a C 27.8602 -18.0587
12 O6a O 25.3762 -19.8804
13 C1x C 21.8486 -14.1313
14 C1a C 21.7145 -16.5972
15 C2y C 25.3435 -13.2852
16 C1x C 22.8897 -13.2095
17 C2x C 24.0903 -13.9094
18 C1b C 25.3426 -12.0286
19 O7a O 26.5356 -11.3212
20 C7a C 28.0008 -12.1156
21 C1a C 29.2004 -11.4189
22 O6a O 28.0008 -13.5017
BOND 23
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 2
5 5 9 1
6 5 10 1 #Up
7 6 11 2
8 7 12 2
9 8 13 1
10 8 14 1
11 9 15 1
12 13 16 1
13 15 17 2
14 15 18 1
15 6 7 1
16 16 17 1
17 18 19 1
18 1 2 1
19 1 3 1
20 20 21 1
21 20 19 1
22 1 4 1
23 20 22 2
|