ATOM 45
1 C8y C 27.2890 -13.8137
2 C8y C 28.4710 -14.4971
3 C8y C 27.2949 -12.4633
4 C1y C 26.1143 -14.4912
5 C8y C 29.6518 -13.8137
6 O2x O 27.1030 -17.7945
7 C8x C 28.4710 -11.7729
8 C1x C 26.1260 -11.7670
9 C1x C 26.1083 -15.8475
10 N1y N 25.0094 -13.8020
11 C8y C 29.6518 -12.4633
12 O2a O 30.8265 -14.4971
13 C8y C 28.3130 -18.4020
14 C1x C 24.9688 -12.4633
15 C8y C 24.9336 -16.5202
16 C1a C 23.7645 -14.4620
17 O2a O 30.8265 -11.7729
18 C1a C 31.9837 -13.8137
19 C8x C 28.3073 -19.7640
20 C8y C 29.4528 -17.6658
21 C8x C 24.9336 -17.8765
22 C8x C 23.7645 -15.8298
23 C1a C 31.9954 -12.4516
24 C8y C 29.5932 -20.3842
25 C8x C 30.6627 -18.2919
26 O2a O 29.4527 -16.3037
27 C8y C 23.7528 -18.5483
28 C8x C 22.5839 -16.5085
29 C8y C 30.6571 -19.6424
30 C1y C 29.5935 -21.7345
31 C1a C 30.7323 -15.5724
32 O2x O 23.7469 -19.9103
33 C8y C 22.5780 -17.8706
34 C1x C 31.9371 -20.2437
35 C1x C 28.5236 -22.4835
36 N1y N 30.8793 -22.3490
37 C8y C 24.9336 -20.5597
38 O1a O 21.4090 -18.5306
39 C1x C 31.9254 -21.5883
40 C8y C 27.3124 -21.8633
41 C1a C 30.8845 -23.6935
42 C8x C 26.0966 -19.8518
43 C8x C 24.8928 -21.9217
44 C8x C 27.2890 -20.5013
45 C8x C 26.1552 -22.5700
BOND 51
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1
14 9 15 1
15 10 16 1
16 11 17 1
17 12 18 1
18 13 19 2
19 13 20 1
20 15 21 1
21 15 22 2
22 17 23 1
23 19 24 1
24 20 25 2
25 20 26 1
26 21 27 2
27 22 28 1
28 24 29 2
29 24 30 1
30 26 31 1
31 27 32 1
32 27 33 1
33 29 34 1
34 30 35 1 #Down
35 30 36 1
36 32 37 1
37 33 38 1
38 34 39 1
39 35 40 1
40 36 41 1
41 37 42 2
42 37 43 1
43 40 44 2
44 40 45 1
45 7 11 2
46 10 14 1
47 25 29 1
48 28 33 2
49 36 39 1
50 42 44 1
51 43 45 2
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