ATOM 32
1 C8y C 27.5813 -18.6798
2 C8y C 27.5813 -20.0792
3 C8y C 26.3918 -20.7788
4 C8y C 25.1323 -20.0792
5 C8y C 25.1323 -18.6798
6 C8x C 26.3918 -17.9800
7 C5x C 28.7932 -20.7788
8 C1x C 30.0051 -20.0792
9 C1y C 30.0051 -18.6798
10 O2x O 28.7932 -17.9800
11 O1a O 23.9263 -17.9701
12 O1a O 23.9263 -20.7888
13 C8y C 31.2357 -17.9691
14 C8x C 32.4404 -18.6644
15 C8x C 33.6521 -17.9647
16 C8y C 33.6521 -16.5653
17 C8x C 32.4475 -15.8699
18 C8x C 31.2356 -16.5697
19 O1a O 34.8695 -15.8622
20 O5x O 28.7932 -22.1780
21 O2a O 26.4089 -22.1781
22 C1y C 25.1971 -22.8778
23 O2x O 23.9892 -22.1804
24 C1y C 22.7773 -22.8801
25 C1y C 22.7773 -24.2795
26 C1y C 23.9853 -24.9769
27 C1y C 25.1971 -24.2772
28 C1b C 21.5466 -22.1694
29 O1a O 20.3440 -22.8637
30 O1a O 23.9852 -26.3761
31 O1a O 21.5485 -24.9891
32 O1a O 26.4130 -24.9792
BOND 35
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 1 10 1
12 5 11 1
13 4 12 1
14 9 13 1 #Down
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 7 20 2
23 3 21 1
24 22 21 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 24 28 1 #Up
32 28 29 1
33 26 30 1 #Up
34 25 31 1 #Down
35 27 32 1 #Down
|