ATOM 44
1 N4y N 27.6586 -15.6680
2 C8y C 26.3917 -15.2700
3 C1y C 26.9740 -17.8955
4 C8x C 28.4235 -14.5846
5 C8y C 26.3794 -13.9421
6 N5x N 25.2288 -15.9495
7 O2x O 25.8726 -17.1001
8 C1y C 26.5702 -19.1441
9 N5x N 27.6403 -13.5259
10 C8y C 25.2165 -13.2688
11 C8x C 24.0599 -15.3008
12 C1y C 24.7954 -17.8711
13 C1y C 25.2176 -19.1441
14 O1a O 27.3597 -20.2213
15 N5x N 24.0538 -13.9482
16 N1a N 25.2102 -11.9408
17 C1b C 23.5407 -17.4795
18 O1a O 24.4528 -20.2213
19 O2b O 22.4697 -17.4306
20 P1b P 21.0314 -17.4243
21 O2c O 19.2322 -17.4306
22 O1c O 21.0314 -18.9789
23 O1c O 21.0314 -15.9372
24 P1b P 17.5674 -17.4243
25 O2b O 16.1353 -17.4366
26 O1c O 17.5736 -18.9117
27 O1c O 17.5674 -15.9310
28 C1b C 14.8158 -17.4879
29 C1y C 13.5734 -17.9223
30 O2x O 12.4655 -17.1880
31 C1y C 13.2244 -19.2810
32 C1y C 11.3946 -18.0203
33 C1y C 11.8475 -19.3117
34 O1a O 14.0141 -20.3297
35 N1y N 10.0787 -16.7349
36 O1a O 11.0946 -20.3582
37 C2x C 11.1008 -15.9823
38 C2x C 8.8058 -16.0373
39 C2y C 11.1068 -14.6419
40 C2x C 8.7874 -14.7827
41 C1x C 9.9135 -14.0483
42 C5a C 12.3153 -13.9225
43 N1a N 13.5215 -14.6189
44 O5a O 12.3060 -12.5299
BOND 48
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 29 28 1 #Down
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1 #Up
35 33 36 1 #Up
36 35 37 1
37 35 38 1
38 37 39 2
39 38 40 2
40 39 41 1
41 5 9 1
42 11 15 1
43 12 13 1
44 32 33 1
45 40 41 1
46 39 42 1
47 42 43 1
48 42 44 2
| 
