ATOM 44
1 N4y N 36.9184 -19.0664
2 C8y C 35.6557 -18.6668
3 C1y C 36.5824 -21.2849
4 C8x C 37.6830 -17.9774
5 C8y C 35.6441 -17.3402
6 N5x N 34.5030 -19.3444
7 O2x O 35.4876 -20.4914
8 C1y C 36.1828 -22.5245
9 N5x N 36.9010 -16.9347
10 C8y C 34.4856 -16.6740
11 C8x C 33.3271 -18.6956
12 C1y C 34.4102 -21.2617
13 C1y C 34.8330 -22.5245
14 O1a O 36.8604 -23.6830
15 N4x N 33.3271 -17.3518
16 O5x O 34.4798 -15.3417
17 C1b C 33.1648 -20.8678
18 O1a O 34.0743 -23.6076
19 O2b O 32.0933 -20.7514
20 P1b P 30.6567 -20.7458
21 O2c O 28.8668 -20.7514
22 O1c O 30.6567 -22.2923
23 O1c O 30.6626 -19.2571
24 P1b P 27.2102 -20.7458
25 O2b O 25.7795 -20.7574
26 O1c O 27.2161 -22.2228
27 O1c O 27.2102 -19.2571
28 C1b C 24.3950 -20.8092
29 C1y C 23.1555 -21.2436
30 O2x O 22.0549 -20.5024
31 C1y C 22.7385 -22.5928
32 C1y C 20.9833 -21.3364
33 C1y C 21.4293 -22.6222
34 O1a O 23.5958 -23.7747
35 N5y N 19.6742 -20.0562 #+
36 O1a O 20.6880 -23.8038
37 C8x C 20.6880 -19.3091
38 C8x C 18.3652 -19.3670
39 C8y C 20.6937 -17.9710
40 C8x C 18.3124 -18.1100
41 C8x C 19.5120 -17.3800
42 C5a C 21.8796 -17.3093
43 N1a N 23.0817 -18.0032
44 O5a O 21.8898 -15.9217
BOND 48
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 1
15 10 16 2
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 35 37 1
37 35 38 2
38 37 39 2
39 38 40 1
40 39 41 1
41 5 9 1
42 11 15 1
43 12 13 1
44 32 33 1
45 40 41 2
46 39 42 1
47 42 43 1
48 42 44 2
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