ATOM 44
1 N4y N 34.2055 -16.7345
2 C8y C 32.9320 -16.3345
3 C1y C 33.5173 -18.9736
4 C8x C 34.9744 -15.6455
5 C8y C 32.9197 -14.9997
6 N5x N 31.7631 -17.0175
7 O2x O 32.4102 -18.1741
8 C1y C 33.1114 -20.2287
9 N5x N 34.1871 -14.5813
10 C8y C 31.7507 -14.3229
11 C8x C 30.5881 -16.3654
12 C1y C 31.3274 -18.9491
13 C1y C 31.7518 -20.2287
14 O1a O 33.9050 -21.3115
15 N5x N 30.5820 -15.0058
16 N1a N 31.8147 -12.9880
17 C1b C 30.0662 -18.5555
18 O1a O 30.9830 -21.3115
19 O2b O 28.9896 -18.5063
20 P1b P 27.5439 -18.5000
21 O2c O 25.7353 -18.5063
22 O1c O 27.5439 -20.0627
23 O1c O 27.5439 -17.0051
24 P1b P 24.0618 -18.5000
25 O2b O 22.6223 -18.5123
26 O1c O 24.0681 -19.9951
27 O1c O 24.0618 -16.9989
28 C1b C 21.2959 -18.5639
29 C1y C 20.0471 -19.0006
30 O2x O 18.9334 -18.2624
31 C1y C 19.6963 -20.3663
32 C1y C 17.8570 -19.0991
33 C1y C 18.3122 -20.3972
34 O1a O 20.4901 -21.4205
35 N1y N 16.5342 -17.8070
36 O1a O 17.5554 -21.4491
37 C2x C 17.5616 -17.0505
38 C2x C 15.2547 -17.1058
39 C2y C 17.5677 -15.7031
40 C2x C 15.2362 -15.8446
41 C1x C 16.3682 -15.1064
42 C5a C 18.7824 -14.9800
43 N1a N 19.9949 -15.6800
44 O5a O 18.7731 -13.5801
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 #Down
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
|