ATOM 46
1 C8y C 28.6705 -17.7980
2 C8y C 28.6762 -16.3985
3 C8x C 27.4692 -18.4918
4 C1y C 29.8892 -18.4860
5 C8x C 27.4692 -15.6929
6 S4a S 29.8892 -15.6929
7 C8y C 26.2565 -17.7980
8 C1y C 29.8892 -19.8796
9 O1a O 31.1079 -17.7863
10 C8y C 26.2565 -16.3985
11 C1b C 31.0962 -16.3926
12 O3c O 29.8949 -14.2936
13 O2x O 24.8628 -17.7921
14 C5x C 28.6762 -20.5852
15 N1b N 31.1079 -20.5793
16 O1a O 25.0435 -15.6812
17 C1c C 32.3090 -15.6871
18 C1z C 24.1573 -19.2091
19 N1x N 28.6762 -21.9788
20 O5x O 27.5392 -19.7338
21 C1a C 31.1136 -21.9788
22 C1b C 33.5218 -16.3869
23 O1a O 32.3147 -14.2877
24 C1y C 24.9037 -20.5678
25 C1b C 23.4692 -17.7921
26 C1a C 22.7578 -18.9991
27 C1y C 27.4692 -22.6785
28 C1c C 34.7347 -15.6812
29 N1x N 26.2565 -20.5910
30 C5a C 23.6907 -20.9175
31 C1a C 22.0757 -17.7921
32 C5x C 26.2565 -21.9845
33 C1c C 27.4751 -24.0780
34 C6a C 35.9475 -16.3809
35 N1a N 34.7404 -14.2819
36 N1b N 22.4837 -20.2120
37 O5a O 23.6324 -22.3170
38 O5x O 25.0435 -22.6842
39 C1a C 28.6879 -24.7777
40 C1a C 26.2622 -24.7834
41 O6a O 37.1604 -15.6755
42 O6a O 35.9534 -17.7804
43 C1b C 21.2709 -20.9118
44 C6a C 20.0582 -20.2061
45 O6a O 18.8452 -20.9001
46 O6a O 20.0639 -18.8009
BOND 47
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 4 9 1 #Up
9 5 10 2
10 6 11 1 #Down
11 6 12 2
12 7 13 1
13 8 14 1
14 8 15 1 #Down
15 10 16 1
16 11 17 1
17 13 18 1
18 14 19 1
19 14 20 2
20 15 21 1
21 17 22 1
22 17 23 1 #Up
23 18 24 1
24 18 25 1 #Up
25 18 26 1 #Down
26 19 27 1
27 22 28 1
28 24 29 1
29 24 30 1 #Down
30 25 31 1
31 27 32 1
32 27 33 1 #Up
33 28 34 1
34 28 35 1 #Down
35 30 36 1
36 30 37 2
37 32 38 2
38 33 39 1
39 33 40 1
40 34 41 1
41 34 42 2
42 36 43 1
43 43 44 1
44 44 45 1
45 44 46 2
46 7 10 1
47 29 32 1
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