ATOM 51
1 C1y C 22.6100 -20.7900
2 C1y C 22.6100 -22.1900
3 C1z C 23.8224 -22.8900
4 C1y C 25.0349 -22.1900
5 C1z C 25.0349 -20.7900
6 C1x C 23.8224 -20.0900
7 C1x C 26.2473 -22.8900
8 C1x C 27.4597 -22.1900
9 C2y C 27.4597 -20.7900
10 C2y C 26.2473 -20.0900
11 C1z C 28.6722 -20.0900
12 C1z C 28.6722 -18.6900
13 C1y C 27.4597 -17.9900
14 C1x C 26.2473 -18.6900
15 C1x C 31.0970 -20.0900
16 C1x C 31.0970 -18.6900
17 C1y C 29.8846 -17.9900
18 O7a O 21.3976 -22.8900
19 C1a C 25.0349 -19.3900
20 C1a C 28.6722 -17.2900
21 C1a C 28.6722 -21.4900
22 O1a O 21.3976 -20.0900
23 C7a C 20.2076 -22.1900
24 C1b C 18.9951 -22.8900
25 C1d C 17.7827 -22.1900
26 C1b C 16.5703 -22.8900
27 C5a C 15.3578 -22.1900
28 O6a O 20.2133 -21.0701
29 O1a O 18.4827 -20.9776
30 C1a C 17.0827 -20.9776
31 N1b N 14.1247 -22.9022
32 O5a O 15.3577 -20.7903
33 C1b C 12.9185 -22.2060
34 C7a C 11.7367 -22.8885
35 O7a O 10.5424 -22.1990
36 O6a O 11.7368 -24.2898
37 C1a C 9.3547 -22.8849
38 C1a C 24.8124 -24.0199
39 C1a C 22.8325 -23.8799
40 O1a O 27.4597 -16.5900
41 C1c C 29.8846 -16.3100
42 C1b C 31.1011 -15.6077
43 O1a O 32.2986 -16.2992
44 C1b C 28.6762 -15.6123
45 C1b C 28.6762 -14.2123
46 C1c C 29.9074 -13.5013
47 O1a O 31.1105 -14.1959
48 C1d C 29.9072 -12.1101
49 C1a C 28.6818 -11.4027
50 C1a C 31.1066 -11.4173
51 O1a O 29.9072 -10.7101
BOND 54
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1 #Up
22 5 19 1 #Up
23 12 20 1 #Up
24 11 21 1 #Down
25 1 22 1 #Down
26 18 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 23 28 2
32 25 29 1
33 25 30 1
34 27 31 1
35 27 32 2
36 31 33 1
37 33 34 1
38 34 35 1
39 34 36 2
40 35 37 1
41 3 38 1
42 3 39 1
43 13 40 1 #Down
44 17 41 1
45 41 42 1
46 42 43 1
47 41 44 1
48 44 45 1
49 45 46 1
50 46 47 1 #Down
51 46 48 1
52 48 49 1
53 48 50 1
54 48 51 1
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