ATOM 43
1 C8y C 19.5871 -17.9994
2 C8y C 18.3457 -18.5370
3 N4y N 19.6820 -16.6381
4 C8y C 20.9181 -18.5071
5 C8y C 17.0678 -18.0239
6 C8y C 21.0010 -16.3290
7 C8y C 21.7236 -17.4745
8 C1y C 15.8628 -18.6322
9 N5x N 16.8523 -16.6746
10 C8x C 21.4906 -15.1108
11 N4y N 16.7575 -13.7559
12 C1y C 14.8952 -17.7303
13 C8y C 15.5288 -16.4533
14 C8y C 20.9893 -13.8870
15 C8y C 16.9308 -12.4065
16 C8y C 15.4081 -13.9948
17 C8x C 14.9786 -15.2540
18 C8y C 21.6042 -12.6571
19 N5x N 19.6457 -13.6844
20 C8y C 15.7011 -11.8348
21 C8x C 18.1607 -11.7447
22 C8y C 14.7639 -12.8070
23 C8y C 20.6380 -11.7203
24 C8y C 19.4256 -12.3539
25 C2b C 15.6894 -10.4551
26 C1a C 13.3972 -12.8070
27 C1a C 20.6192 -10.3474
28 C2a C 16.8719 -9.7587
29 C1b C 22.9523 -12.4306
30 C1b C 23.8709 -13.5464
31 C5x C 20.4494 -19.8797
32 C1b C 15.8076 -19.9826
33 C1b C 14.6119 -20.6029
34 C6a C 14.5497 -21.9533
35 O6a O 13.3539 -22.5807
36 O6a O 15.6902 -22.6762
37 C1a C 13.4541 -17.7967
38 C1b C 23.0380 -17.5380
39 Z Mg 18.1783 -15.2015
40 C1x C 18.9389 -19.8547
41 O5x O 21.2754 -21.0607
42 C1a C 23.6870 -18.7980
43 C1a C 25.2452 -13.3176
BOND 49
1 14 18 1
2 14 19 2
3 15 20 2
4 15 21 1
5 16 22 2
6 18 23 2
7 19 24 1
8 20 25 1
9 22 26 1
10 23 27 1
11 6 7 1
12 12 13 1
13 16 17 1
14 20 22 1
15 21 24 2
16 23 24 1
17 25 28 2
18 18 29 1
19 29 30 1
20 1 2 2
21 4 31 1
22 1 3 1
23 8 32 1 #Up
24 1 4 1
25 32 33 1
26 2 5 1
27 33 34 1
28 3 6 1
29 34 35 1
30 4 7 2
31 34 36 2
32 5 8 1
33 12 37 1 #Down
34 5 9 2
35 7 38 1
36 6 10 2
37 11 39 1
38 3 39 1
39 8 12 1
40 2 40 1
41 40 31 1
42 9 13 1
43 31 41 2
44 10 14 1
45 11 15 1
46 11 16 1
47 13 17 2
48 38 42 1
49 30 43 1
| 
