ATOM 46
1 C8y C 19.6445 -17.5463
2 C2y C 18.3701 -18.0981
3 N4x N 19.7420 -16.1490
4 C8y C 21.0106 -18.0675
5 C2y C 17.0585 -17.5715
6 C8y C 21.0957 -15.8316
7 C8y C 21.8374 -17.0075
8 C1y C 15.8215 -18.1959
9 N2x N 16.8372 -16.1864
10 C1b C 21.5983 -14.5812
11 N1x N 16.7399 -13.1904
12 C1y C 14.8282 -17.2701
13 C2y C 15.4787 -15.9591
14 C8y C 21.0837 -13.3250
15 C5x C 16.9178 -11.8053
16 C2y C 15.3548 -13.4355
17 C2b C 14.9138 -14.7282
18 C8y C 21.7149 -12.0624
19 N4x N 19.7047 -13.1170
20 C2y C 15.6555 -11.2184
21 C4a C 18.3922 -11.1259
22 C2y C 14.6935 -12.2164
23 C8y C 20.7230 -11.1009
24 C8y C 19.4786 -11.7513
25 C2b C 15.7134 -9.8022
26 C1a C 13.2906 -12.2164
27 C1a C 20.7038 -9.6916
28 C1b C 23.0988 -11.8300
29 C1a C 24.0417 -12.9753
30 C5x C 20.5295 -19.4764
31 C1b C 15.7649 -19.5821
32 C1b C 14.5374 -20.2187
33 C6a C 14.4736 -21.6049
34 O6a O 13.2461 -22.2490
35 O6a O 15.6444 -22.3471
36 C1a C 13.3489 -17.3382
37 C1a C 23.1867 -17.0726
38 C1y C 18.9791 -19.4507
39 O5x O 21.3774 -20.6888
40 C7a C 18.1690 -20.6886
41 O6a O 16.6906 -20.6063
42 O7a O 18.8370 -22.0157
43 C1a C 18.0194 -23.2531
44 O4a O 18.3922 -9.7835
45 C2a C 14.4203 -9.1098
46 O5x O 17.4124 -10.8868
BOND 50
1 14 18 2
2 14 19 1
3 15 20 1
4 16 22 1
5 18 23 1
6 19 24 1
7 20 25 1
8 22 26 1
9 23 27 1
10 6 7 2
11 12 13 1
12 16 17 2
13 20 22 2
14 21 24 1
15 23 24 2
16 18 28 1
17 28 29 1
18 1 2 1
19 4 30 1
20 1 3 1
21 8 31 1 #Up
22 1 4 2
23 31 32 1
24 2 5 2
25 32 33 1
26 3 6 1
27 33 34 1
28 4 7 1
29 33 35 2
30 5 8 1
31 12 36 1 #Down
32 5 9 1
33 7 37 1
34 6 10 1
35 8 12 1
36 2 38 1
37 38 30 1
38 9 13 2
39 30 39 2
40 10 14 1
41 38 40 1 #Down
42 11 15 1
43 40 41 2
44 11 16 1
45 40 42 1
46 13 17 1
47 42 43 1
48 21 44 2
49 25 45 2
50 15 46 2
| 
