ATOM 51
1 C1y C 15.6821 -7.3017
2 O2x O 14.4249 -6.6032
3 C1y C 15.6821 -8.6986
4 O2a O 16.8695 -6.6032
5 C1y C 13.2375 -7.3017
6 C1y C 14.4249 -9.3272
7 O1a O 16.8695 -9.3272
8 C8y C 18.0569 -7.3017
9 C1y C 13.2375 -8.6986
10 C1b C 11.9802 -6.6032
11 O1a O 14.4249 -10.7241
12 C8x C 18.0569 -8.6986
13 C8x C 19.2444 -6.6032
14 O1a O 11.9802 -9.3272
15 O1a O 10.7928 -7.3017
16 C8x C 19.2444 -9.3272
17 C8x C 20.5016 -7.3017
18 C8y C 20.5016 -8.6986
19 C1b C 21.6890 -9.3970
20 O7a O 22.8764 -8.6986
21 C7a C 24.1337 -9.3970
22 C1b C 25.3211 -8.6986
23 O6a O 24.1337 -10.7939
24 C1d C 26.5085 -9.3970
25 C1b C 27.7657 -8.6986
26 C7a C 28.9531 -9.4669
27 O7a O 30.1405 -8.7684
28 O6a O 28.9531 -10.8639
29 C1b C 31.3560 -9.4570
30 C8y C 32.5348 -8.7634
31 C8x C 33.7376 -9.4449
32 C8x C 34.9417 -8.7367
33 C8y C 34.9304 -7.3398
34 C8x C 33.7276 -6.6584
35 C8x C 32.5235 -7.3666
36 O2a O 36.1419 -6.6268
37 C1y C 37.3514 -7.3116
38 C1y C 37.3629 -8.6983
39 C1y C 38.5784 -9.3867
40 C1y C 39.7824 -8.6782
41 C1y C 39.7709 -7.2916
42 O2x O 38.5554 -6.6032
43 C1b C 40.9768 -6.5818
44 O1a O 38.5900 -10.7939
45 O1a O 36.1381 -9.4193
46 O1a O 41.0044 -9.3702
47 O1a O 42.1819 -7.2645
48 O1a O 26.5617 -10.7795
49 C6a C 26.5257 -7.9800
50 O6a O 27.7498 -7.2929
51 O6a O 25.3250 -7.2673
BOND 54
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 2
17 16 18 2
18 6 9 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 21 23 2
25 22 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 26 28 2
30 27 29 1
31 29 30 1
32 30 31 2
33 31 32 1
34 32 33 2
35 33 34 1
36 34 35 2
37 30 35 1
38 33 36 1
39 37 36 1 #Up
40 37 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 37 42 1
46 41 43 1 #Down
47 39 44 1 #Down
48 38 45 1 #Up
49 40 46 1 #Up
50 43 47 1
51 24 48 1
52 24 49 1
53 49 50 1
54 49 51 2
| 
