ATOM 27
1 C1y C 14.6300 -17.1500
2 C1y C 16.0300 -17.1500
3 C1x C 16.4626 -15.8185
4 O2x O 15.3300 -14.9956
5 C1y C 14.1974 -15.8185
6 C1x C 14.1974 -18.4815
7 O2x O 15.3300 -19.3044
8 C1y C 16.4626 -18.4815
9 C8y C 12.8778 -15.3897
10 C8x C 12.8488 -14.0003
11 C8y C 11.6210 -13.3275
12 C8y C 10.4245 -14.0544
13 C8x C 10.4554 -15.4435
14 C8x C 11.6832 -16.1163
15 O2a O 9.2076 -13.3876
16 C1a C 8.0426 -14.0954
17 O2a O 11.5892 -11.9003
18 C1a C 10.3852 -11.2402
19 C8y C 17.7822 -18.9103
20 C8x C 17.7822 -20.3103
21 C8x C 18.9947 -21.0103
22 C8y C 20.2071 -20.3103
23 C8y C 20.2071 -18.9103
24 C8x C 18.9947 -18.2103
25 O2x O 21.5386 -20.7429
26 C1x C 22.3615 -19.6103
27 O2x O 21.5386 -18.4777
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 1
8 7 8 1
9 2 8 1
10 5 9 1 #Up
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 12 15 1
18 15 16 1
19 11 17 1
20 17 18 1
21 8 19 1 #Down
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 22 25 1
29 25 26 1
30 26 27 1
31 23 27 1
|