ATOM 42
1 C1x C 16.8461 -17.1884
2 C1y C 16.8461 -18.5867
3 C1x C 18.0347 -19.2859
4 C1y C 19.2233 -18.5867
5 C1z C 19.2233 -17.1884
6 C1x C 18.0347 -16.4892
7 C1y C 20.4119 -19.2859
8 C1x C 21.6005 -18.5867
9 C1y C 21.6005 -17.1884
10 C1y C 20.4119 -16.4892
11 C1x C 20.4119 -15.1608
12 C1y C 22.7891 -16.4892
13 C1y C 22.7891 -15.1608
14 C1x C 23.9777 -17.1884
15 C1x C 25.1663 -16.4892
16 C1y C 25.1663 -15.1608
17 C1y C 23.9777 -14.4616
18 C1z C 26.3549 -14.4616
19 C1y C 26.3549 -13.0632
20 N1y N 25.1663 -12.3641
21 C1x C 23.9777 -13.0632
22 C1x C 27.5435 -12.3641
23 C1x C 27.5435 -11.0356
24 C1y C 26.3549 -10.3365
25 C1x C 25.1663 -11.0356
26 C1a C 26.3549 -8.9381
27 C1a C 27.7533 -14.4616
28 O1a O 27.0541 -15.6502
29 C1a C 19.2233 -15.8600
30 O2a O 15.6575 -19.2859
31 O1a O 20.4119 -20.6144
32 C1y C 14.4466 -19.9851
33 O2x O 13.2525 -19.2955
34 C1y C 12.0414 -19.9946
35 C1y C 12.0412 -21.3929
36 C1y C 13.2353 -22.0825
37 C1y C 14.4464 -21.3834
38 C1b C 10.8116 -19.2844
39 O1a O 9.6161 -19.9746
40 O1a O 10.8198 -22.0980
41 O1a O 13.2351 -23.4808
42 O1a O 15.6741 -22.0926
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1
13 9 12 1
14 12 13 1
15 11 13 1
16 12 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 13 17 1
21 16 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 17 21 1
26 19 22 1
27 22 23 1
28 23 24 1
29 24 25 1
30 20 25 1
31 24 26 1 #Up
32 18 27 1 #Down
33 18 28 1 #Up
34 5 29 1 #Up
35 2 30 1 #Up
36 7 31 1 #Down
37 32 30 1 #Up
38 32 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 32 37 1
44 34 38 1 #Up
45 38 39 1
46 35 40 1 #Down
47 36 41 1 #Up
48 37 42 1 #Down
| 
