ATOM 46
1 C1y C 18.5671 -8.4089
2 C1y C 19.9721 -8.4089
3 O2x O 19.2660 -7.2008
4 C1y C 21.1400 -10.5000
5 O7x O 21.1400 -11.9000
6 C2x C 23.5649 -10.5000
7 C1x C 22.3524 -9.8000
8 N1x N 25.9897 -11.9000
9 C5x C 25.9897 -10.5000
10 C2x C 24.7773 -9.8000
11 C1x C 24.7773 -14.0000
12 N1x N 25.9897 -14.7000
13 C5x C 27.2022 -14.0000
14 C1y C 27.2022 -12.6000
15 C7x C 22.3524 -14.0000
16 C1y C 23.5649 -14.7000
17 C7x C 19.9276 -12.6000
18 C1y C 19.9276 -14.0000
19 O7x O 21.1400 -14.7000
20 O5x O 27.1873 -9.8085
21 C1b C 28.4353 -11.8878
22 C8y C 29.6415 -12.5840
23 C8x C 29.6420 -13.9996
24 C8x C 30.8547 -14.6992
25 C8y C 32.0669 -13.9988
26 C8y C 32.0664 -12.5832
27 C8x C 30.8537 -11.8836
28 X Cl 33.2665 -11.8898
29 O2a O 33.2749 -14.6957
30 C1a C 34.4665 -14.0070
31 O5x O 28.4353 -14.7122
32 C1a C 23.5649 -16.0998
33 O6a O 22.3524 -12.6002
34 C1b C 18.7321 -14.6904
35 C1c C 18.7320 -16.0997
36 C1a C 17.5406 -16.7877
37 C1a C 19.9654 -16.8121
38 O6a O 18.7321 -11.9096
39 C1c C 21.1400 -9.1000
40 C1a C 22.3562 -8.4065
41 C8y C 17.3455 -9.1136
42 C8x C 16.1385 -8.4160
43 C8x C 14.9257 -9.1155
44 C8x C 14.9251 -10.5155
45 C8x C 16.1322 -11.2131
46 C8x C 17.3449 -10.5136
BOND 49
1 1 2 1
2 2 3 1
3 3 1 1
4 4 5 1
5 6 7 1
6 4 7 1
7 8 9 1
8 9 10 1
9 6 10 2
10 11 12 1
11 12 13 1
12 13 14 1
13 8 14 1
14 15 16 1
15 11 16 1
16 5 17 1
17 17 18 1
18 18 19 1
19 15 19 1
20 9 20 2
21 14 21 1 #Down
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 25 26 1
27 26 27 2
28 22 27 1
29 26 28 1
30 25 29 1
31 29 30 1
32 13 31 2
33 16 32 1 #Up
34 15 33 2
35 18 34 1 #Up
36 34 35 1
37 35 36 1
38 35 37 1
39 17 38 2
40 4 39 1
41 2 39 1
42 39 40 1 #Up
43 1 41 1 #Up
44 41 42 2
45 42 43 1
46 43 44 2
47 44 45 1
48 45 46 2
49 41 46 1
| 
