ATOM 36
1 C1y C 18.5500 -23.7300
2 C1y C 18.5500 -25.1300
3 C1y C 19.8100 -25.8300
4 C1y C 21.0000 -25.1300
5 C1y C 21.0000 -23.7300
6 O2x O 19.8100 -23.0300
7 C1b C 17.3600 -23.0300
8 O7a O 16.1700 -23.7300
9 O1a O 17.3600 -25.8300
10 N1a N 19.8100 -27.2300
11 O1a O 22.2600 -25.9000
12 O2a O 22.2600 -23.0300
13 C1y C 23.4500 -22.3300
14 C1y C 24.6400 -23.0300
15 C1x C 25.8300 -22.3300
16 C1y C 25.8300 -20.9300
17 C1y C 24.6400 -20.2300
18 C1y C 23.3800 -20.9300
19 N1a N 24.6400 -24.4300
20 N1a N 27.0200 -20.2300
21 O1a O 22.1900 -20.3000
22 O2a O 24.6400 -18.8300
23 C1y C 25.8300 -18.1300
24 O2x O 27.0200 -18.8300
25 C1y C 28.2100 -18.1300
26 C1y C 28.2100 -16.7300
27 C1y C 27.0200 -16.0300
28 C1y C 25.8300 -16.7300
29 C1b C 29.4700 -18.8300
30 N1a N 29.4700 -20.2300
31 O1a O 29.4700 -16.0300
32 C7a C 14.9800 -23.0300
33 N1a N 13.7900 -23.7300
34 O6a O 14.9800 -21.6300
35 O1a O 27.0200 -14.6300
36 O1a O 24.6147 -16.0349
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 7 8 1
9 2 9 1 #Down
10 3 10 1 #Up
11 4 11 1 #Down
12 5 12 1 #Down
13 13 12 1 #Down
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 14 19 1 #Up
21 16 20 1 #Up
22 18 21 1 #Up
23 17 22 1 #Down
24 23 22 1 #Down
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 23 28 1
31 25 29 1 #Up
32 29 30 1
33 26 31 1 #Down
34 8 32 1
35 32 33 1
36 32 34 2
37 27 35 1 #Up
38 28 36 1 #Down
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