ATOM 41
1 C2x C 10.6920 -17.5850
2 N1y N 13.0858 -18.7105
3 C1x C 13.0858 -19.9716
4 C1x C 12.0931 -20.9643
5 C1x C 10.6920 -20.9643
6 C1x C 9.7063 -19.9716
7 C2x C 9.7063 -18.5705
8 C1z C 14.4200 -16.9400
9 C1y C 14.4200 -18.3400
10 C1z C 15.6100 -19.0400
11 C1x C 16.8700 -18.3400
12 C1x C 16.8700 -16.9400
13 C1y C 15.6100 -16.2400
14 C1x C 18.0600 -19.0400
15 C2x C 19.2500 -18.3400
16 N1y N 19.2500 -16.9400
17 C1x C 18.0600 -16.2400
18 C1x C 20.3700 -16.0300
19 C1x C 21.7000 -16.3800
20 C1x C 22.3300 -17.6400
21 C1x C 21.7000 -18.9000
22 C2x C 20.3700 -19.1800
23 C1x C 18.2923 -17.7923
24 C1x C 13.0885 -16.5074
25 C1y C 12.2656 -17.5700
26 O1a O 15.5928 -20.4399
27 C2y C 15.5928 -14.8401
28 C8y C 14.3849 -14.1624
29 C2x C 16.8092 -14.1176
30 C8y C 14.3681 -12.7401
31 C8y C 13.1474 -12.0545
32 C8x C 11.9434 -12.7689
33 C8x C 11.9602 -14.1911
34 N5x N 13.1809 -14.8767
35 N4x N 15.3973 -11.7911
36 C8y C 14.8128 -10.5189
37 C8y C 13.4223 -10.6818
38 C8x C 15.3670 -9.2333
39 C8x C 14.5307 -8.1105
40 C8x C 13.1402 -8.2734
41 C8x C 12.5860 -9.5590
BOND 48
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 7 1 2
7 8 9 1
8 9 10 1
9 10 11 1
10 12 13 1
11 8 13 1
12 11 14 1
13 14 15 1
14 16 17 1
15 12 17 1
16 19 20 1
17 20 21 1
18 18 19 1
19 15 22 2
20 16 18 1
21 21 22 1
22 8 23 1 #Up
23 16 23 1
24 8 24 1
25 24 25 1
26 1 25 1
27 9 2 1
28 25 2 1
29 10 26 1
30 13 27 1
31 27 28 1
32 27 29 2
33 10 29 1 #Down
34 28 30 2
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 28 34 1
40 30 35 1
41 35 36 1
42 36 37 1
43 31 37 1
44 36 38 2
45 38 39 1
46 39 40 2
47 40 41 1
48 37 41 2
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