ATOM 39
1 N4y N 27.3788 -15.3098
2 C8y C 26.1349 -14.9193
3 C1y C 25.7490 -17.4287
4 C8x C 28.1981 -14.2464
5 C8y C 26.1229 -13.6155
6 N5x N 24.9932 -15.5865
7 O2x O 24.6677 -16.6476
8 C1y C 25.3526 -18.6544
9 N5x N 27.3607 -13.2069
10 C8y C 24.9812 -12.9545
11 C8x C 23.8456 -14.9494
12 C1y C 23.6102 -17.4045
13 C1y C 24.0247 -18.6544
14 O1a O 26.1277 -19.7121
15 N5x N 23.8397 -13.6215
16 N1a N 24.9754 -11.6507
17 C1b C 22.3784 -17.0202
18 O1a O 23.2738 -19.7121
19 O2b O 21.3267 -16.9721
20 P1b P 19.9149 -16.9659
21 O2c O 18.1483 -16.9721
22 O1c O 19.9149 -18.4923
23 O1c O 19.9149 -15.5061
24 P1b P 16.5138 -16.9659
25 O2b O 15.1078 -16.9779
26 O1c O 16.5200 -18.4263
27 O1c O 16.5138 -15.5000
28 C1b C 13.7439 -16.9602
29 C1y C 12.5243 -17.3866
30 O2x O 11.4364 -16.6656
31 C1y C 12.1815 -18.7205
32 C1y C 10.3851 -17.4828
33 C1y C 10.8298 -18.6807
34 O7a O 12.9569 -19.7504
35 O1a O 9.0933 -16.2209
36 O1a O 10.0906 -19.8466
37 C7a C 14.3439 -19.5806
38 C1a C 15.2013 -20.7192
39 O6a O 14.8846 -18.3088
BOND 42
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 #Either
35 33 36 1 #Up
36 5 9 1
37 11 15 1
38 12 13 1
39 32 33 1
40 34 37 1
41 37 38 1
42 37 39 2
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