ATOM 39
1 O2x O 40.9500 -21.0700
2 C1y C 42.3500 -21.0700
3 C1y C 42.7700 -22.4000
4 N2x N 41.6500 -23.1700
5 C2y C 40.5300 -22.4000
6 C5x C 43.9600 -23.0300
7 N1x N 43.9600 -24.4300
8 C1y C 45.2200 -25.1300
9 C2y C 45.2200 -26.5300
10 O2x O 46.2700 -27.3700
11 C1y C 45.8500 -28.6300
12 C1y C 44.5200 -28.6300
13 N2x N 44.0300 -27.3700
14 C1y C 39.4100 -23.0300
15 N1x N 39.4100 -24.4300
16 C5x C 38.1500 -25.1300
17 C1y C 38.1500 -26.5300
18 N2x N 39.2700 -27.3700
19 C2y C 38.8500 -28.6300
20 O2x O 37.4500 -28.6300
21 C1y C 37.0300 -27.3700
22 C5x C 43.3300 -29.3300
23 C1y C 40.0400 -29.3300
24 N1x N 41.7200 -28.6300
25 C1a C 35.7000 -26.9500
26 O5x O 36.9600 -24.4300
27 C1c C 38.2200 -22.4000
28 C1a C 37.0300 -23.0300
29 C1a C 38.2200 -21.0000
30 C1a C 43.1900 -19.9500
31 O5x O 45.1500 -22.4000
32 C1c C 46.3400 -24.4300
33 C1a C 47.6000 -25.1300
34 C1a C 46.3400 -23.0300
35 C1a C 46.6900 -29.7500
36 O5x O 43.3300 -30.7300
37 C1c C 40.0400 -30.7300
38 C1a C 41.2300 -31.3600
39 C1a C 38.8500 -31.5000
BOND 42
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 3 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 2
15 5 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 1
23 17 21 1
24 12 22 1
25 19 23 1
26 23 24 1
27 24 22 1
28 21 25 1 #Down
29 16 26 2
30 14 27 1 #Up
31 27 28 1
32 27 29 1
33 2 30 1 #Down
34 6 31 2
35 8 32 1 #Up
36 32 33 1
37 32 34 1
38 11 35 1 #Down
39 22 36 2
40 23 37 1 #Up
41 37 38 1
42 37 39 1
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