ATOM 30
1 C1z C 27.3714 -21.7893
2 C8y C 28.5528 -22.5261
3 C1y C 26.1491 -22.4619
4 C5x C 27.3365 -20.4091
5 O1a O 28.6170 -21.0057
6 C8y C 28.5819 -23.9122
7 C8x C 29.7808 -21.8771
8 O2x O 24.9796 -21.7952
9 C1x C 26.1841 -23.8537
10 C8y C 26.2252 -19.6841
11 O5x O 28.6287 -19.7424
12 C8x C 29.6872 -24.6549
13 O2x O 27.2896 -24.5789
14 C8y C 30.9680 -22.5964
15 C8y C 25.0087 -20.3565
16 C8x C 26.2544 -18.3097
17 C8y C 30.9212 -23.9999
18 O2a O 32.1902 -21.9471
19 C8y C 23.8450 -19.6373
20 C8x C 25.0849 -17.5962
21 O2a O 32.0849 -24.7251
22 C1a C 33.3657 -22.6723
23 C8y C 23.8801 -18.2688
24 C1x C 22.5350 -20.0233
25 C1a C 33.3072 -24.0701
26 O2x O 22.5876 -17.8185
27 C1y C 21.7572 -18.9061
28 C2c C 20.7982 -17.8711
29 C1a C 19.5525 -18.5495
30 C2a C 20.7808 -16.4558
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 2
11 6 12 1
12 6 13 1
13 7 14 2
14 8 15 1
15 10 16 1
16 12 17 2
17 14 18 1
18 15 19 1
19 16 20 2
20 17 21 1
21 18 22 1
22 19 23 2
23 19 24 1
24 21 25 1
25 23 26 1
26 24 27 1
27 27 28 1 #Down
28 28 29 1
29 28 30 2
30 9 13 1
31 10 15 2
32 14 17 1
33 20 23 1
34 26 27 1
|