ATOM 38
1 C1y C 24.0066 -14.4881
2 N4y N 25.3361 -13.9990
3 O2x O 22.9567 -13.6482
4 C1y C 23.5866 -15.8180
5 C8y C 26.5811 -14.7148
6 C8x C 25.3066 -12.6404
7 C1y C 21.7668 -14.4881
8 C1y C 22.1868 -15.8180
9 O1a O 24.4265 -16.9378
10 N4x N 27.7649 -13.9355
11 O5x O 26.6106 -16.0735
12 C8x C 26.4904 -11.8611
13 C1b C 20.4370 -14.0682
14 O1a O 21.3469 -16.9378
15 C8y C 27.8036 -12.5610
16 O2b O 19.4571 -15.0481
17 O5x O 28.9874 -11.7817
18 P1b P 18.0573 -15.0481
19 O2c O 16.6574 -15.0481
20 O1c O 18.0573 -16.4479 #-
21 O1c O 18.0573 -13.6482
22 P1b P 15.2576 -15.0481
23 O2b O 13.8578 -15.0481
24 O1c O 15.2576 -16.4479 #-
25 O1c O 15.2576 -13.6482
26 C1y C 12.6679 -15.7480
27 O2x O 11.4080 -15.0481
28 C1y C 12.6679 -17.1478
29 C1y C 10.2182 -15.7480
30 C1y C 11.4080 -17.8477
31 O1a O 13.8578 -17.8477
32 C1y C 10.2182 -17.1478
33 C1b C 9.0283 -15.0481
34 O1a O 11.4080 -19.2476
35 O1a O 9.0283 -17.8477
36 O1a O 7.8385 -15.7480
37 Z Na 15.5376 -20.0875 #+
38 Z Na 19.8771 -20.1575 #+
BOND 38
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Down
26 26 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 28 31 1 #Down
31 29 32 1
32 29 33 1 #Up
33 30 34 1 #Up
34 32 35 1 #Down
35 33 36 1
36 7 8 1
37 12 15 1
38 30 32 1
|