ATOM 33
1 C8y C 19.1926 -15.4762
2 C8y C 19.1926 -16.8806
3 C8y C 20.3864 -17.5828
4 C8x C 21.5803 -16.8806
5 C8y C 21.5803 -15.4762
6 O2x O 20.3864 -14.7739
7 C8x C 17.9286 -14.7739
8 C8y C 16.7347 -15.4762
9 C8y C 16.7347 -16.8806
10 C8y C 17.9286 -17.5828
11 O5x O 20.3864 -18.9873
12 O1a O 17.9286 -18.9873
13 O1a O 15.5410 -17.5828
14 O2a O 15.5410 -14.7739
15 C1y C 14.2770 -15.4762
16 C1y C 13.0832 -14.7739
17 C1y C 11.8893 -15.4762
18 C1y C 11.8893 -16.8806
19 C1y C 13.0832 -17.5828
20 O2x O 14.2770 -16.8806
21 O1a O 10.6955 -14.7739
22 C1b C 13.0832 -18.9873
23 O1a O 10.6955 -17.5828
24 O1a O 13.0832 -13.3695
25 O1a O 11.8893 -19.6896
26 C8y C 22.8443 -14.7739
27 C8x C 24.0381 -15.4762
28 C8y C 25.2319 -14.7739
29 C8y C 25.2319 -13.3695
30 C8x C 24.0381 -12.6672
31 C8x C 22.8443 -13.3695
32 O1a O 26.4960 -12.6672
33 O1a O 26.4511 -15.4713
BOND 36
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 3 11 2
13 10 12 1
14 9 13 1
15 8 14 1
16 15 14 1 #Down
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 17 21 1 #Down
24 19 22 1 #Down
25 18 23 1 #Up
26 16 24 1 #Up
27 22 25 1
28 5 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 26 31 1
35 29 32 1
36 28 33 1
| 
