ATOM 48
1 C1z C 27.9430 -17.5182
2 C1y C 28.7201 -18.5933
3 C1z C 26.6225 -17.6526
4 C1x C 28.7201 -16.4373
5 O2x O 25.5414 -20.0833
6 C1z C 29.9881 -18.1785
7 C1x C 28.1824 -19.8028
8 C1y C 26.0732 -18.8738
9 C1x C 25.8336 -16.5774
10 C1a C 27.1542 -16.4373
11 C1z C 29.9881 -16.8580
12 C1z C 24.7644 -19.0081
13 C1x C 31.1391 -18.8446
14 O1a O 29.8478 -19.5048
15 C1x C 26.8562 -19.9489
16 C1x C 24.5131 -16.7294
17 C1y C 31.1391 -16.1802
18 O1a O 29.8478 -15.5375
19 C1y C 23.9813 -17.9330
20 O1a O 24.2326 -20.2236
21 C1y C 32.2785 -18.1785
22 C1z C 32.2785 -16.8580
23 C1x C 31.1391 -14.8713
24 O7a O 22.6551 -17.9275
25 O1a O 33.7976 -19.3353
26 C1z C 33.4295 -16.1802
27 O1a O 33.4529 -17.8864
28 N1y N 32.2785 -14.2053
29 C7a C 21.8780 -17.0041
30 C1y C 33.4295 -14.8713
31 C1a C 35.2467 -15.2803
32 O1a O 34.8319 -16.9280
33 C1x C 32.2785 -12.8672
34 O6a O 22.4155 -15.7886
35 C1x C 34.5923 -14.2053
36 C1y C 33.4295 -12.2186
37 C1x C 34.5923 -12.8672
38 C1a C 33.4295 -10.8747
39 C8y C 20.5171 -17.0109
40 C8x C 19.8089 -15.7982
41 C8x C 18.4089 -15.8052
42 C8y C 17.7149 -17.0211
43 C8y C 18.4232 -18.2338
44 C8x C 19.8232 -18.2268
45 O2a O 16.3101 -17.0281
46 C1a C 15.5960 -15.8057
47 O2a O 17.7403 -19.4294
48 C1a C 16.3102 -19.4355
BOND 55
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1
10 4 11 1
11 12 5 1 #Down
12 6 13 1
13 6 14 1 #Down
14 7 15 1
15 9 16 1
16 11 17 1
17 11 18 1 #Down
18 12 19 1
19 12 20 1
20 13 21 1
21 17 22 1
22 17 23 1
23 19 24 1
24 21 25 1 #Up
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 24 29 1
29 26 30 1
30 26 31 1
31 26 32 1 #Up
32 28 33 1
33 29 34 2
34 30 35 1
35 33 36 1
36 35 37 1
37 36 38 1
38 6 11 1
39 8 12 1
40 8 15 1
41 16 19 1
42 21 22 1
43 28 30 1
44 36 37 1
45 29 39 1
46 39 40 2
47 40 41 1
48 41 42 2
49 42 43 1
50 43 44 2
51 39 44 1
52 42 45 1
53 45 46 1
54 43 47 1
55 47 48 1
| 
