ATOM 44
1 C1y C 24.6486 -23.3951
2 C1y C 25.0630 -22.1130
3 C1z C 23.3018 -23.3951
4 O2a O 25.3674 -24.9492
5 O2a O 26.3126 -21.0381
6 O2x O 23.9752 -21.3296
7 C1y C 22.8938 -22.1130
8 C1b C 21.9678 -23.9325
9 O1a O 22.9392 -24.6837
10 C1y C 24.0011 -26.6067
11 C1y C 26.3126 -19.7043
12 C1a C 21.6248 -21.6922
13 O1a O 20.9125 -23.1037
14 C1y C 24.0011 -27.9600
15 O2x O 22.8226 -25.9397
16 C1y C 25.1537 -19.0178
17 C1y C 27.4911 -19.0178
18 C1y C 22.8226 -28.6463
19 N1b N 25.1601 -28.6270
20 C1y C 21.6636 -26.6067
21 C1y C 25.1537 -17.6645
22 N1b N 23.6060 -19.7496
23 C1y C 27.4911 -17.6645
24 O1a O 28.6503 -19.6848
25 C1y C 21.6636 -27.9600
26 O2b O 22.8226 -29.9867
27 C1a C 26.9214 -27.5781
28 C1b C 20.5045 -25.9397
29 C1y C 26.3126 -16.9977
30 O1a O 24.1889 -16.5962
31 C2c C 22.4470 -19.0762
32 O1a O 28.6503 -16.9911
33 O1a O 20.5045 -28.6270
34 P1b P 22.8162 -31.3207
35 O1a O 20.3362 -24.7355
36 N1b N 26.3126 -15.6574
37 N1a N 22.4536 -17.7359
38 N2a N 21.2881 -19.7366
39 O1c O 21.4822 -31.3207
40 O1c O 24.1564 -31.3270
41 O1c O 22.8162 -32.6610
42 C2c C 27.4718 -14.9840
43 N1a N 28.6308 -15.6508
44 N2a N 27.4652 -13.6436
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 3 9 1
9 10 4 1 #Up
10 11 5 1 #Down
11 7 12 1 #Down
12 8 13 1
13 10 14 1
14 10 15 1
15 11 16 1
16 11 17 1
17 14 18 1
18 14 19 1 #Up
19 15 20 1
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 17 24 1 #Up
24 18 25 1
25 18 26 1 #Down
26 19 27 1
27 20 28 1 #Down
28 21 29 1
29 21 30 1 #Down
30 22 31 1
31 23 32 1 #Down
32 25 33 1 #Up
33 26 34 1
34 28 35 1
35 29 36 1 #Up
36 31 37 1
37 31 38 2
38 34 39 1
39 34 40 1
40 34 41 2
41 36 42 1
42 42 43 1
43 42 44 2
44 6 7 1
45 20 25 1
46 23 29 1
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