ATOM 44
1 C1y C 11.6411 -19.2107
2 C1y C 13.0384 -19.2107
3 C1y C 13.4576 -17.9532
4 O2x O 12.3398 -17.1148
5 C1y C 11.2220 -17.9532
6 O1a O 10.8726 -20.3285
7 O1a O 13.8069 -20.3285
8 C1b C 14.7151 -17.5340
9 N1y N 9.9644 -15.9271
10 O2b O 16.0425 -17.5340
11 P1b P 17.4398 -17.5340
12 O2c O 18.7672 -17.5340
13 P1b P 20.0946 -17.5340
14 O2b O 21.4220 -17.5340
15 O1c O 17.4398 -16.2066
16 O1c O 20.0946 -16.2066
17 O1c O 17.4398 -18.8614
18 O1c O 20.0946 -18.8614
19 C2x C 11.1521 -15.2285
20 C2y C 11.1521 -13.9011
21 C2x C 9.9644 -13.2024
22 C2x C 8.7767 -13.9011
23 C1x C 8.7767 -15.2285
24 C5a C 12.2699 -13.2024
25 N1a N 13.4576 -13.9011
26 O5a O 12.2699 -11.8750
27 C1y C 24.2166 -18.1627
28 C1y C 24.6358 -19.4203
29 C1y C 26.0330 -19.4203
30 C1y C 26.3823 -18.1627
31 O2x O 25.3344 -17.3244
32 C1b C 22.8193 -17.5340
33 N4y N 27.6399 -16.1367
34 O1a O 23.8673 -20.5381
35 O1a O 26.8015 -20.4682
36 C8x C 28.4783 -15.0189
37 N5x N 27.7098 -13.9011
38 C8y C 26.3823 -14.3202
39 C8y C 26.3823 -15.6477
40 C8y C 25.2645 -13.6216
41 N5x N 24.0070 -14.3202
42 C8x C 24.0070 -15.6477
43 N5x N 25.1947 -16.3463
44 N1a N 25.2645 -12.2942
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Up
7 2 7 1 #Up
8 3 8 1 #Down
9 5 9 1 #Down
10 8 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 11 15 2
16 13 16 2
17 11 17 1
18 13 18 1
19 9 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 9 23 1
25 20 24 1
26 24 25 1
27 24 26 2
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 27 31 1
33 27 32 1 #Up
34 14 32 1
35 30 33 1 #Up
36 28 34 1 #Down
37 29 35 1 #Down
38 33 36 1
39 36 37 2
40 37 38 1
41 38 39 1
42 33 39 1
43 38 40 2
44 40 41 1
45 41 42 2
46 42 43 1
47 39 43 2
48 40 44 1
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