ATOM 40
1 C8y C 4.4954 -7.6843
2 N4y N 5.7595 -7.0921
3 C8y C 7.0186 -7.7054
4 C1y C 7.3203 -9.0625
5 C8y C 4.1755 -9.0565
6 N1x N 6.4473 -10.1602
7 C5x C 5.0459 -10.1536
8 C8x C 3.4735 -6.7274
9 C8x C 2.1338 -7.1339
10 C8x C 1.8140 -8.5061
11 C8x C 2.8359 -9.4630
12 N5x N 8.1789 -6.9220
13 C8y C 8.0805 -5.5254
14 C8y C 6.8213 -4.9121
15 C8y C 5.6611 -5.6956
16 C8x C 9.2407 -4.7419
17 C8x C 9.1423 -3.3454
18 C8x C 7.8832 -2.7321
19 C8x C 6.7230 -3.5156
20 O5x O 4.3998 -5.0813
21 O5x O 4.4341 -11.4121
22 C1b C 8.5624 -9.7300
23 C1z C 9.7749 -9.0300
24 C1y C 11.0060 -9.7410
25 N1y N 12.0627 -8.7899
26 C8y C 11.4846 -7.4910
27 C8y C 10.0707 -7.6394
28 C8x C 12.0542 -6.2121
29 C8x C 11.2315 -5.0794
30 C8x C 9.8175 -5.2278
31 C8x C 9.2479 -6.5067
32 N1x N 11.5841 -11.0399
33 C1y C 12.9981 -10.8915
34 C5x C 13.2938 -9.5009
35 O1a O 9.7748 -10.4298
36 O5x O 14.5708 -8.9326
37 C1b C 13.9588 -11.9586
38 C1c C 15.3588 -11.9586
39 C1a C 16.0563 -13.1669
40 C1a C 16.0463 -10.7672
BOND 46
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 5 11 1
13 3 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 2 15 1
18 13 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 14 19 1
23 15 20 2
24 7 21 2
25 4 22 1 #Down
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 2
31 23 27 1
32 26 28 1
33 28 29 2
34 29 30 1
35 30 31 2
36 27 31 1
37 24 32 1
38 32 33 1
39 33 34 1
40 25 34 1
41 23 35 1
42 34 36 2
43 33 37 1 #Down
44 37 38 1
45 38 39 1
46 38 40 1
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