ATOM 52
1 C1y C 33.7346 -21.9832
2 O2x O 32.7492 -20.9905
3 C1c C 35.1296 -21.9832
4 C1x C 33.3730 -23.3371
5 C1y C 31.6224 -21.9890
6 C7a C 35.8189 -20.7690
7 C1a C 36.1162 -22.9686
8 C1x C 31.9781 -23.3371
9 C1b C 30.4143 -21.2938
10 O7a O 35.1179 -19.5605
11 O6a O 37.2137 -20.7690
12 C1c C 29.2118 -21.9949
13 C1c C 35.8072 -18.3467
14 O7a O 28.0033 -21.2997
15 C1a C 29.2058 -23.3897
16 C1b C 35.1005 -17.1325
17 C1a C 37.2022 -18.3467
18 C7a C 26.8009 -22.0006
19 C1y C 33.7055 -17.1266
20 C1c C 25.5984 -21.3054
21 O6a O 26.7952 -23.4014
22 O2x O 32.5671 -18.1016
23 C1x C 33.3380 -15.7725
24 C1y C 24.3972 -22.0123
25 C1a C 25.5867 -19.9104
26 C1y C 31.5758 -17.1149
27 C1x C 31.9432 -15.7666
28 O2x O 23.3988 -21.0198
29 C1x C 24.0286 -23.3604
30 C1c C 30.3676 -17.8043
31 C1y C 22.2779 -22.0240
32 C1x C 22.6337 -23.3604
33 C7a C 29.1534 -17.1091
34 C1a C 30.3617 -19.1992
35 C1b C 20.8889 -22.0182
36 O7a O 27.9392 -17.7984
37 O6a O 29.1475 -15.7082
38 C1c C 20.2067 -20.8098
39 C1c C 26.7309 -17.0975
40 O7a O 20.9005 -19.6072
41 C1a C 18.8117 -20.8098
42 C1b C 25.4876 -17.7634
43 C1a C 26.6959 -15.6732
44 C7a C 20.2184 -18.4049
45 C1y C 24.2793 -17.0625
46 C1c C 20.9180 -17.1966
47 O6a O 18.8234 -18.4049
48 O2x O 23.2995 -18.1833
49 C1x C 23.9819 -15.7842
50 C1y C 22.3129 -17.1966
51 C1a C 20.2184 -15.9881
52 C1x C 22.5871 -15.7725
BOND 56
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 6 10 1
10 6 11 2
11 9 12 1
12 10 13 1
13 12 14 1
14 12 15 1 #Down
15 13 16 1
16 13 17 1 #Up
17 14 18 1
18 16 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 19 23 1
23 20 24 1
24 20 25 1 #Down
25 22 26 1
26 23 27 1
27 24 28 1
28 24 29 1
29 26 30 1
30 28 31 1
31 29 32 1
32 30 33 1
33 30 34 1 #Down
34 31 35 1
35 33 36 1
36 33 37 2
37 35 38 1
38 36 39 1
39 38 40 1
40 38 41 1 #Up
41 39 42 1
42 39 43 1 #Down
43 40 44 1
44 42 45 1
45 44 46 1
46 44 47 2
47 45 48 1
48 45 49 1
49 46 50 1
50 46 51 1 #Down
51 49 52 1
52 5 8 1
53 26 27 1
54 31 32 1
55 48 50 1
56 50 52 1
| 
