ATOM 40
1 N4y N 6.8759 -17.0321
2 C8y C 5.9021 -16.2669
3 C1y C 8.1975 -16.6147
4 C8x C 6.3890 -18.4233
5 C8y C 4.6500 -17.2408
6 N5x N 5.7629 -14.8062
7 O2x O 9.3105 -17.5190
8 C1y C 8.6149 -15.2931
9 N5x N 5.0673 -18.4233
10 C8y C 3.3979 -16.6843
11 C8x C 4.4413 -14.2497
12 C1y C 10.4235 -16.6843
13 C1y C 10.0061 -15.2931
14 O1a O 7.9193 -14.1801
15 N5x N 3.2588 -15.1540
16 N1a N 2.3545 -17.5190
17 C1b C 11.8147 -17.1017
18 O1a O 10.4235 -14.0410
19 O2b O 12.8581 -16.1278
20 P1b P 14.2493 -16.1278
21 O1c O 14.2493 -14.7366
22 O7a O 15.5709 -16.1278
23 O1c O 14.2493 -17.5886
24 C1b C 22.8747 -15.9887
25 C1b C 24.0572 -15.2931
26 C1b C 21.6922 -15.2931
27 C1b C 25.3093 -15.9887
28 C1b C 20.5097 -15.9887
29 C1b C 26.4918 -15.2931
30 C1b C 19.2576 -15.2931
31 C1b C 27.6744 -15.9887
32 C1b C 18.0751 -15.9887
33 C1b C 28.9264 -15.2931
34 C7a C 16.8925 -15.2931
35 C1b C 30.1090 -15.9887
36 O6a O 16.8925 -13.9019
37 C1b C 31.2915 -15.2931
38 C1b C 32.5436 -15.9887
39 C1b C 33.7261 -15.2931
40 C1a C 34.9086 -15.9887
BOND 42
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 5 9 1
24 11 15 1
25 12 13 1
26 24 25 1
27 24 26 1
28 25 27 1
29 26 28 1
30 27 29 1
31 28 30 1
32 29 31 1
33 30 32 1
34 31 33 1
35 32 34 1
36 33 35 1
37 34 36 2
38 35 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 22 34 1
| 
