ATOM 51
1 C1y C 33.9787 -21.2857
2 C1y C 33.9716 -22.6861
3 C1y C 35.1819 -23.3958
4 C1y C 36.3990 -22.6982
5 C1y C 36.4060 -21.2978
6 O2x O 35.1959 -20.5951
7 C1y C 22.1211 -15.7263
8 C1x C 22.1142 -14.3261
9 C1x C 20.8968 -13.6355
10 C1y C 19.6867 -14.3382
11 C1y C 19.6938 -15.7385
12 O2x O 20.9110 -16.4362
13 C1x C 22.1211 -18.5130
14 C1y C 24.5403 -18.5130
15 C1y C 23.3378 -17.8163
16 C1x C 22.1211 -19.9134
17 C1x C 20.9060 -20.6197
18 C1y C 20.9075 -22.0225
19 O7x O 22.1240 -22.7192
20 C5x C 24.5403 -19.9134
21 C7x C 23.3297 -22.0080
22 C1x C 24.5308 -22.7070
23 C2y C 25.7485 -20.6194
24 C1y C 25.7399 -22.0256
25 C2x C 27.0888 -20.1953
26 C1y C 27.9112 -21.3323
27 C1y C 27.0725 -22.4571
28 C2x C 27.6318 -23.7432
29 C2x C 29.0226 -23.9045
30 C1y C 29.3020 -21.4936
31 C1y C 29.8525 -22.7861
32 C1x C 31.2525 -22.6597
33 C1y C 31.5695 -21.2890
34 C1x C 30.3616 -20.5726
35 O2a O 23.3316 -16.4230
36 C1a C 18.6942 -16.7256
37 N1b N 18.4760 -13.6434
38 C1a C 17.2655 -14.3401
39 C1a C 25.7453 -17.8094
40 C1b C 19.6864 -22.7072
41 C1a C 18.4689 -22.0105
42 O5x O 23.1345 -19.9063
43 O6a O 23.3015 -20.8552
44 O2a O 32.7683 -20.5890
45 C1a C 37.6098 -20.5890
46 O2a O 37.6027 -23.3968
47 C1a C 38.8132 -22.6861
48 O2a O 35.1678 -24.7901
49 O2a O 32.7542 -23.3828
50 C1a C 32.7471 -24.7830
51 C1a C 36.3803 -25.4901
BOND 56
1 13 16 1
2 26 27 1
3 27 28 1
4 28 29 2
5 29 31 1
6 30 26 1
7 20 14 1
8 14 15 1
9 15 13 1
10 2 3 1
11 3 4 1
12 30 31 1
13 31 32 1
14 32 33 1
15 33 34 1
16 34 30 1
17 4 5 1
18 15 35 1 #Down
19 7 35 1 #Down
20 5 6 1
21 11 36 1 #Down
22 16 17 1
23 10 37 1 #Up
24 17 18 1
25 37 38 1
26 18 19 1
27 14 39 1 #Up
28 19 21 1
29 18 40 1 #Up
30 7 8 1
31 40 41 1
32 8 9 1
33 20 42 2
34 9 10 1
35 21 43 2
36 21 22 1
37 22 24 1
38 23 20 1
39 10 11 1
40 11 12 1
41 33 44 1 #Down
42 1 44 1 #Down
43 12 7 1
44 5 45 1 #Up
45 23 24 1
46 4 46 1 #Down
47 24 27 1
48 46 47 1
49 26 25 1
50 3 48 1 #Up
51 25 23 2
52 6 1 1
53 2 49 1 #Up
54 49 50 1
55 1 2 1
56 48 51 1
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