ATOM 53
1 C1y C 19.2909 -21.8161
2 C1y C 20.4845 -22.4760
3 O2x O 18.1296 -22.5194
4 C1y C 20.5095 -23.8284
5 O1a O 21.6407 -21.7696
6 C1x C 18.1597 -23.8747
7 C1y C 19.3483 -24.5317
8 O1a O 21.6931 -24.4825
9 O1a O 19.3784 -25.8868
10 C1y C 17.9606 -18.1344
11 C1y C 17.9781 -19.4900
12 O2x O 16.7806 -17.4742
13 O2a O 19.3012 -20.4250
14 C1y C 16.8181 -20.1802
15 C1y C 15.6178 -18.1698
16 C1y C 15.6351 -19.5250
17 O1a O 16.8355 -21.5356
18 C6a C 14.4377 -17.5095
19 O1a O 14.4752 -20.2153
20 O6a O 14.4123 -16.1563
21 O6a O 13.2699 -18.2020
22 C1z C 28.6886 -13.7659
23 C1y C 27.5345 -13.0840
24 C1y C 28.6653 -15.1181
25 C6a C 28.6827 -12.4137
26 C2y C 26.3572 -13.7426
27 C1x C 27.5984 -14.0396
28 C1x C 27.4995 -15.7768
29 O6a O 29.8485 -11.7318
30 O6a O 27.5054 -11.7492
31 C1z C 26.4096 -15.0891
32 C2x C 25.1973 -13.0548
33 C1z C 25.1740 -15.7592
34 C1a C 26.4680 -16.5754
35 C1x C 24.0199 -13.7252
36 C1y C 24.0082 -15.0774
37 C1x C 25.1740 -17.1115
38 C1a C 25.7864 -14.4013
39 C1z C 22.8309 -15.7476
40 C1x C 23.9966 -17.7818
41 C1y C 22.8250 -17.0998
42 C1x C 21.6651 -15.0715
43 C1a C 22.8193 -14.3954
44 C1z C 21.6651 -17.7759
45 C1x C 20.4877 -15.7476
46 C1y C 20.4877 -17.0998
47 C1a C 22.4289 -19.2157
48 C1a C 21.1638 -19.2157
49 O2a O 19.3162 -17.7759
50 C1z C 29.9441 -15.5582
51 C1x C 30.7578 -14.4779
52 C1x C 29.9819 -13.3702
53 C1a C 30.3501 -16.8845
BOND 60
1 11 14 1
2 12 15 1
3 14 16 1
4 14 17 1 #Up
5 15 18 1 #Up
6 16 19 1 #Down
7 18 20 1
8 18 21 2
9 15 16 1
10 1 3 1
11 2 4 1
12 2 5 1 #Down
13 3 6 1
14 4 7 1
15 4 8 1 #Up
16 7 9 1 #Down
17 6 7 1
18 1 2 1
19 10 11 1
20 10 12 1
21 11 13 1 #Down
22 22 23 1
23 22 24 1
24 22 25 1 #Up
25 23 26 1
26 23 27 1 #Down
27 24 28 1
28 25 29 1
29 25 30 2
30 26 31 1
31 26 32 2
32 31 33 1
33 31 34 1 #Down
34 32 35 1
35 33 36 1
36 33 37 1
37 33 38 1 #Up
38 36 39 1
39 37 40 1
40 39 41 1
41 39 42 1
42 39 43 1 #Up
43 41 44 1
44 42 45 1
45 44 46 1
46 44 47 1
47 44 48 1
48 46 49 1 #Up
49 28 31 1
50 35 36 1
51 40 41 1
52 45 46 1
53 10 49 1 #Up
54 1 13 1 #Up
55 24 50 1
56 50 51 1
57 51 52 1
58 22 52 1
59 50 53 1
60 50 27 1 #Down
| 
