ATOM 39
1 N1y N 26.1685 -13.2651
2 C1x C 25.3238 -14.3572
3 C1x C 26.0958 -15.4970
4 C1y C 27.4645 -13.7344
5 C1z C 27.4186 -15.1116
6 N1x N 28.7964 -13.3595
7 C8y C 29.5616 -14.5076
8 C8y C 28.7133 -15.5815
9 C8x C 29.2233 -16.8616
10 C8x C 30.5816 -17.0539
11 C8x C 31.4298 -15.9802
12 C8x C 30.9197 -14.7001
13 C1a C 26.1965 -11.8840
14 N1y N 22.7977 -18.2920
15 C1x C 22.7931 -19.6713
16 C1x C 24.1084 -20.0912
17 C1y C 24.1083 -17.8583
18 C1z C 24.9120 -18.9797
19 N1x N 24.9215 -16.7507
20 C8y C 26.2292 -17.1818
21 C8y C 26.2219 -18.5544
22 C8x C 27.4110 -19.2433
23 C8x C 28.6006 -18.5670
24 C8x C 28.6079 -17.1945
25 C8y C 27.4257 -16.4982
26 N1y N 28.4541 -21.7794
27 C1x C 28.4517 -20.4001
28 C1x C 27.1433 -19.9802
29 C1y C 27.1435 -22.2061
30 C1z C 26.3397 -21.0918
31 N1x N 26.3302 -23.3207
32 C8y C 25.0925 -22.8896
33 C8y C 25.0298 -21.5171
34 C8x C 23.8407 -20.8210
35 C8x C 22.6511 -21.5044
36 C8x C 22.7138 -22.8769
37 C8x C 23.8260 -23.5661
38 C1a C 21.8950 -17.0427
39 C1a C 29.4054 -22.9656
BOND 47
1 19 17 1
2 1 2 1
3 4 5 1
4 7 8 2
5 8 9 1
6 9 10 2
7 10 11 1
8 20 21 2
9 21 22 1
10 22 23 2
11 23 24 1
12 24 25 2
13 25 20 1
14 11 12 2
15 12 7 1
16 5 8 1
17 29 26 1
18 26 27 1
19 27 28 1
20 30 28 1 #Down
21 1 13 1
22 7 6 1
23 6 4 1
24 29 30 1
25 30 33 1
26 32 31 1
27 31 29 1
28 2 3 1
29 17 14 1
30 14 15 1
31 15 16 1
32 18 16 1 #Up
33 5 3 1 #Up
34 32 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 37 32 1
40 18 30 1
41 14 38 1
42 4 1 1
43 26 39 1
44 17 18 1
45 18 21 1
46 25 5 1
47 20 19 1
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