ATOM 40
1 N4y N 30.7305 -16.7009
2 C8y C 29.4867 -16.3103
3 C1y C 29.1009 -18.8196
4 C8x C 31.5498 -15.6374
5 C8y C 29.4747 -15.0066
6 N5x N 28.3450 -16.9774
7 O2x O 28.0195 -18.0386
8 C1y C 28.7045 -20.0453
9 N5x N 30.7125 -14.5980
10 C8y C 28.3330 -14.3456
11 C8x C 27.1975 -16.3405
12 C1y C 26.9621 -18.7955
13 C1y C 27.3766 -20.0453
14 O2b O 29.4795 -21.1029
15 N5x N 27.1915 -15.0126
16 N1a N 28.3272 -13.0420
17 C1b C 25.7303 -18.4112
18 O1a O 26.6257 -21.1029
19 O2b O 24.6787 -18.3631
20 P1b P 23.2669 -18.3569
21 O2c O 21.5004 -18.3631
22 O1c O 23.2669 -19.8832
23 O1c O 23.2669 -16.8970
24 P1b P 19.8660 -18.3569
25 O2b O 18.4600 -18.3689
26 O1c O 19.8722 -19.8171
27 O1c O 19.8660 -16.8909
28 C1b C 17.0962 -18.3512
29 C1y C 15.8766 -18.7776
30 O2x O 14.7888 -18.0566
31 C1y C 15.5339 -20.1114
32 C1y C 13.7375 -18.8738
33 C1y C 14.1822 -20.1416
34 O1a O 16.3092 -21.1412
35 O1a O 12.4458 -17.6119
36 O1a O 13.4431 -21.2374
37 P1b P 30.8795 -21.1029
38 O1c O 30.8795 -19.7029
39 O1c O 30.8795 -22.5029
40 O1c O 32.2795 -21.1029
BOND 43
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 29 28 1 #Down
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1 #Down
35 33 36 1 #Up
36 5 9 1
37 11 15 1
38 12 13 1
39 32 33 1
40 14 37 1
41 37 38 1
42 37 39 2
43 37 40 1
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