ATOM 27
1 O7a O 27.3248 -15.8375
2 C7a C 28.6686 -15.0686
3 C2c C 29.8713 -15.7670
4 O6a O 28.6686 -13.6786
5 C1z C 23.0045 -15.0895
6 C1z C 21.6220 -15.1350
7 C1y C 23.8535 -16.1326
8 C1y C 23.3343 -13.6722
9 O1a O 21.8423 -16.3371
10 C1y C 21.0806 -13.8528
11 O2x O 20.2411 -15.1099
12 C1a C 20.6067 -16.0884
13 C1y C 25.2582 -16.0778
14 O7x O 23.4119 -17.4616
15 C1y C 22.1435 -12.9519
16 C2y C 24.6032 -13.0816
17 C1y C 26.1383 -15.0582
18 C2y C 25.6766 -17.4843
19 C7x C 24.5350 -18.2912
20 O1a O 22.0312 -11.5644
21 C1x C 25.8486 -13.6915
22 C2a C 24.5441 -11.6950
23 C2a C 26.9955 -17.9200
24 O6a O 24.5910 -19.6828
25 C1a C 31.0828 -15.0716
26 C2b C 29.8677 -17.1640
27 C1a C 28.6562 -17.8592
BOND 30
1 2 4 2
2 5 6 1
3 5 7 1
4 5 8 1
5 5 9 1 #Down
6 6 10 1
7 6 11 1
8 6 12 1 #Up
9 7 13 1
10 7 14 1
11 8 15 1
12 8 16 1
13 13 17 1
14 13 18 1
15 14 19 1
16 15 20 1 #Up
17 16 21 1
18 16 22 2
19 17 1 1 #Up
20 18 23 2
21 19 24 2
22 10 11 1
23 10 15 1
24 17 21 1
25 18 19 1
26 3 25 1
27 2 3 1
28 3 26 2
29 1 2 1
30 26 27 1
|