ATOM 50
1 C1y C 10.1037 -16.9937
2 C1z C 11.3895 -17.7080
3 C1z C 8.8893 -17.7080
4 C1x C 10.1037 -15.5651
5 C1z C 12.6038 -16.9937
6 C1x C 11.3895 -19.1367
7 C1a C 11.3180 -16.7080
8 C1y C 8.8893 -19.1367
9 C1x C 7.6750 -16.9937
10 C1a C 8.8893 -16.2793
11 C1x C 11.3895 -14.8507
12 C1y C 12.6038 -15.5651
13 C1x C 13.8182 -17.7080
14 C1a C 12.6038 -18.4224
15 C1x C 10.1037 -19.8510
16 C1z C 7.6750 -19.8510
17 C1x C 6.4607 -17.7080
18 C1z C 13.8182 -14.9222
19 C1x C 15.0325 -17.0652
20 C1x C 6.4607 -19.1367
21 C1a C 7.1749 -21.2796
22 C1a C 8.3178 -21.2796
23 C1y C 15.0325 -15.6364
24 C1a C 13.6753 -15.9222
25 C1y C 16.1041 -14.7078
26 C1x C 15.5327 -13.4220
27 C1x C 14.1753 -13.4935
28 C1c C 17.3899 -15.4221
29 C1b C 18.6042 -14.7078
30 C1a C 17.3899 -16.8507
31 C1b C 19.8900 -15.4221
32 C1c C 21.0898 -14.7027
33 C1c C 22.3160 -15.3840
34 C1c C 23.5587 -14.6393
35 C1b C 24.7786 -15.3177
36 O2a O 25.9932 -14.5899
37 O1a O 21.0665 -13.3084
38 O1a O 23.5360 -13.2380
39 O1a O 22.3391 -16.7592
40 C1y C 27.2240 -15.2741
41 O2x O 27.1767 -16.6797
42 C1y C 28.4021 -17.3608
43 C1y C 29.6045 -16.6401
44 C1y C 29.5816 -15.2346
45 C1y C 28.3564 -14.5535
46 C1b C 28.4254 -18.7829
47 O1a O 30.7958 -14.5072
48 N1a N 28.3160 -13.1779
49 O1a O 30.8000 -17.3043
50 O1a O 29.6240 -19.4493
BOND 55
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 5 12 1
12 5 13 1
13 5 14 1 #Down
14 6 15 1
15 8 16 1
16 9 17 1
17 12 18 1
18 13 19 1
19 16 20 1
20 16 21 1
21 16 22 1
22 18 23 1
23 18 24 1 #Down
24 8 15 1
25 11 12 1
26 17 20 1
27 19 23 1
28 23 25 1
29 25 26 1
30 26 27 1
31 18 27 1
32 25 28 1
33 28 29 1
34 28 30 1 #Up
35 29 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 32 37 1 #Up
42 34 38 1 #Up
43 33 39 1 #Down
44 40 36 1 #Up
45 40 41 1
46 41 42 1
47 42 43 1
48 43 44 1
49 44 45 1
50 40 45 1
51 42 46 1 #Up
52 44 47 1 #Up
53 45 48 1 #Down
54 43 49 1 #Down
55 46 50 1
| 
