ATOM 43
1 C8x C 2.7410 -15.0439
2 C8x C 1.9104 -16.1850
3 S2x S 2.7391 -17.3274
4 C8y C 4.0818 -16.8925
5 C8y C 4.0830 -15.4810
6 C8y C 5.3035 -17.5991
7 C8y C 6.5263 -16.8945
8 C8y C 6.5274 -15.4831
9 C8y C 5.3058 -14.7764
10 S2a S 7.7745 -14.7649
11 C1a C 8.9618 -15.4521
12 C1b C 7.7444 -17.5989
13 C1b C 8.9777 -16.8883
14 C1c C 10.2120 -17.6029
15 C1b C 11.4187 -16.9086
16 C1a C 10.2100 -19.0494
17 C1b C 12.6436 -17.6181
18 C1b C 13.8329 -16.9338
19 C1c C 15.0358 -17.6308
20 C1b C 16.2359 -16.9403
21 C1a C 15.0339 -19.0492
22 C1b C 17.4333 -17.6341
23 C1b C 18.6362 -16.9419
24 C1c C 19.8322 -17.6348
25 C1b C 21.0358 -16.9422
26 C1a C 19.8302 -19.0492
27 C1b C 22.2315 -17.6350
28 C1b C 23.4351 -16.9423
29 C1c C 24.6308 -17.6350
30 C1b C 25.8344 -16.9423
31 C1a C 24.6288 -19.0492
32 C1b C 27.0302 -17.6350
33 C1b C 28.2337 -16.9422
34 C1c C 29.4295 -17.6349
35 C1b C 30.6330 -16.9421
36 C1a C 29.4277 -19.0492
37 C1b C 31.8289 -17.6348
38 C1b C 33.0323 -16.9421
39 C1c C 34.2283 -17.6348
40 C1a C 35.4316 -16.9420
41 C1a C 34.2265 -19.0492
42 O1a O 5.3071 -13.3801
43 O1a O 5.3027 -18.9699
BOND 44
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 7 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 14 16 1
18 15 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 19 21 1
23 20 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 24 26 1
28 25 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 29 31 1
33 30 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 34 36 1
38 35 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 39 41 1
43 9 42 1
44 6 43 1
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