ATOM 49
1 C8y C 17.5811 -16.1159
2 C8x C 17.5811 -17.5171
3 C8y C 18.7946 -18.2178
4 C8x C 20.0081 -17.5171
5 C8y C 20.0081 -16.1159
6 C8y C 18.7946 -15.4153
7 C1b C 21.2403 -15.4043
8 C8y C 22.4466 -16.1006
9 C8x C 22.4470 -17.5167
10 C8y C 23.6607 -18.2171
11 C8x C 24.8741 -17.5160
12 C8y C 24.8736 -16.0998
13 C8y C 23.6599 -15.3995
14 C1d C 18.7946 -19.6188
15 C1d C 23.6611 -19.6189
16 O1a O 18.7946 -14.0142
17 O1a O 23.6597 -14.0141
18 N4y N 26.0755 -15.4056
19 N4y N 16.3676 -15.4153
20 N5x N 16.2214 -14.0242
21 C8y C 14.8532 -13.7334
22 C8y C 14.1538 -14.9446
23 N5x N 15.0897 -15.9842
24 N5x N 27.3451 -15.9707
25 C8y C 28.2749 -14.9377
26 C8y C 27.5799 -13.7343
27 N5x N 26.2205 -14.0234
28 C8x C 14.1526 -12.5198
29 C8x C 12.7514 -12.5198
30 C8x C 12.0519 -13.7311
31 C8x C 12.7526 -14.9446
32 C8x C 29.6762 -14.9375
33 C8x C 30.3766 -13.7240
34 C8x C 29.6816 -12.5205
35 C8x C 28.2803 -12.5207
36 C1a C 18.7946 -21.0201
37 C1b C 17.0209 -19.6188
38 C1a C 20.1734 -19.6188
39 C1a C 23.6611 -21.0202
40 C1b C 25.4278 -19.6187
41 C1a C 22.2753 -19.6191
42 C1d C 15.9702 -21.5325
43 C1d C 26.4787 -21.5324
44 C1a C 15.2702 -22.7449
45 C1a C 14.7622 -20.8352
46 C1a C 17.1867 -22.2347
47 C1a C 27.1787 -22.7448
48 C1a C 27.6652 -20.8476
49 C1a C 25.2402 -22.2472
BOND 54
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 3 14 1
16 10 15 1
17 6 16 1
18 13 17 1
19 12 18 1
20 1 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 19 23 1
26 18 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 18 27 1
31 21 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 22 31 1
36 25 32 1
37 32 33 2
38 33 34 1
39 34 35 2
40 26 35 1
41 14 36 1
42 14 37 1
43 14 38 1
44 15 39 1
45 15 40 1
46 15 41 1
47 37 42 1
48 40 43 1
49 42 44 1
50 42 45 1
51 42 46 1
52 43 47 1
53 43 48 1
54 43 49 1
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