ATOM 43
1 C8y C 29.6367 -17.5172
2 C8y C 29.6367 -16.1188
3 C8y C 30.8428 -18.2224
4 O2x O 28.4248 -18.2107
5 C8y C 28.4248 -15.4139
6 C8y C 30.8544 -15.4196
7 C8y C 30.8370 -19.6148
8 C8y C 32.0606 -17.5232
9 C8y C 28.4189 -19.6032
10 C8x C 27.2128 -16.1072
11 C8y C 28.4306 -14.0155
12 C8x C 32.0663 -16.1247
13 O1a O 30.8604 -14.0214
14 C8x C 29.6250 -20.3024
15 O5x O 32.0489 -20.3198
16 O1a O 33.2724 -18.2340
17 C8y C 27.2011 -20.2966
18 C8y C 26.0709 -15.4022
19 C8x C 27.2244 -13.3046
20 O2a O 29.6483 -13.3163
21 C8x C 25.9893 -19.5915
22 C8x C 27.1954 -21.6949
23 C8y C 24.7948 -16.0955
24 C8x C 26.0067 -14.0038
25 C1a C 29.6542 -11.9121
26 C8x C 24.7832 -20.2848
27 C8x C 25.9776 -22.3941
28 O2x O 23.5830 -15.3906
29 C8x C 24.7891 -17.4939
30 C8y C 24.7715 -21.6832
31 C8y C 22.3652 -16.0839
32 C8y C 23.5713 -18.1931
33 O2a O 23.5537 -22.3824
34 C8y C 22.4293 -17.4823
35 C8x C 21.1532 -15.3848
36 O5x O 23.5654 -19.5974
37 C8y C 21.1532 -18.1874
38 C8y C 19.9354 -16.0839
39 C8x C 19.9354 -17.4823
40 O1a O 21.1591 -19.5915
41 O2a O 18.7235 -15.3848
42 C1a C 17.5058 -16.0839
43 C1a C 22.3483 -21.6825
BOND 48
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1
16 9 17 1
17 10 18 2
18 11 19 1
19 11 20 1
20 17 21 2
21 17 22 1
22 18 23 1
23 18 24 1
24 20 25 1
25 21 26 1
26 22 27 2
27 23 28 1
28 23 29 2
29 26 30 2
30 28 31 1
31 29 32 1
32 30 33 1
33 31 34 2
34 31 35 1
35 32 36 2
36 34 37 1
37 35 38 2
38 37 39 2
39 37 40 1
40 38 41 1
41 41 42 1
42 8 12 2
43 9 14 2
44 19 24 2
45 27 30 1
46 32 34 1
47 38 39 1
48 33 43 1
|