ATOM 47
1 C8y C 25.3490 -20.2493
2 C8y C 25.3490 -21.6559
3 C8y C 26.5671 -22.3592
4 C8y C 27.7853 -21.6559
5 C8y C 27.7853 -20.2493
6 C8x C 26.5671 -19.5460
7 C8x C 23.9905 -19.8854
8 C8y C 23.2244 -21.0649
9 N4x N 24.1096 -22.1579
10 O2a O 29.0221 -19.5350
11 C5a C 21.8334 -21.0680
12 N1y N 21.0784 -19.9064
13 O5a O 21.1846 -22.4119
14 C1x C 21.5823 -18.6625
15 C1y C 20.4882 -17.7772
16 C8y C 19.3083 -18.5440
17 C8y C 19.6731 -19.9033
18 C8y C 17.9496 -18.1804
19 C8y C 16.9554 -19.1754
20 C8y C 17.3200 -20.5345
21 C8x C 18.6789 -20.8982
22 C8y C 17.3106 -16.9274
23 C8y C 15.9215 -17.1479
24 N4x N 15.7019 -18.5373
25 C7a C 17.9464 -15.6788
26 O7a O 16.3338 -21.5217
27 C7a C 14.9852 -21.1607
28 N1y N 14.0040 -22.1431
29 O6a O 14.6227 -19.8094
30 C1b C 20.5610 -16.3829
31 X Br 21.8193 -15.7412
32 C1x C 12.6421 -21.7791
33 C1x C 11.6528 -22.7698
34 N1y N 12.0161 -24.1218
35 C1x C 13.3779 -24.4857
36 C1x C 14.3672 -23.4951
37 C1a C 11.0249 -25.1142
38 C1a C 14.9169 -16.1435
39 O7a O 17.1765 -14.4937
40 C1a C 15.7522 -14.4986
41 O6a O 19.3464 -15.6788
42 C1a C 30.2532 -20.2458
43 O2a O 28.9899 -22.3512
44 C1a C 30.2039 -21.6502
45 O2a O 26.5677 -23.7296
46 C1a C 27.8046 -24.4433
47 X Br 28.2800 -16.4500
BOND 51
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 2 1
11 5 10 1
12 8 11 1
13 11 12 1
14 11 13 2
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 12 17 1
20 16 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 17 21 1
25 18 22 1
26 22 23 2
27 23 24 1
28 19 24 1
29 22 25 1
30 20 26 1
31 26 27 1
32 27 28 1
33 27 29 2
34 30 31 1
35 15 30 1 #Down
36 28 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 28 36 1
42 34 37 1
43 23 38 1
44 25 39 1
45 39 40 1
46 25 41 2
47 10 42 1
48 4 43 1
49 43 44 1
50 3 45 1
51 45 46 1
| 
