ATOM 38
1 C1y C 23.8700 -17.9900
2 C1y C 23.8700 -19.4600
3 C1y C 25.2000 -20.2300
4 C1x C 26.4600 -19.4600
5 C1y C 26.4600 -17.9900
6 O2x O 25.2000 -17.2200
7 C1a C 27.7200 -17.2900
8 N1c N 25.2000 -21.7000
9 O1a O 22.6100 -20.1600
10 C1a C 23.8700 -22.4000
11 C1a C 26.4600 -22.4000
12 O2a O 22.6100 -17.2200
13 C1y C 21.4200 -16.5200
14 C1y C 21.4200 -15.1900
15 C1x C 20.2300 -14.4900
16 C1a C 22.6100 -14.4900
17 C1y C 20.2300 -13.0900
18 C5x C 19.0400 -12.4600
19 C1a C 21.3500 -12.4600
20 C2x C 17.8500 -13.0900
21 O5x O 19.0400 -11.1300
22 C2x C 17.8500 -14.4900
23 C1z C 16.6600 -15.1900
24 C1c C 15.4700 -17.2200
25 C1y C 16.6600 -16.5200
26 C1a C 15.0500 -14.6300
27 O7x O 17.7800 -17.2200
28 C1y C 20.2300 -17.2200
29 C1a C 19.0400 -16.5200
30 C5x C 20.2300 -18.6200
31 C7x C 17.8500 -18.5500
32 O6a O 16.6600 -19.2500
33 C1y C 18.9700 -19.2500
34 O5x O 21.3500 -19.3200
35 C1a C 18.9700 -20.5800
36 O1a O 14.2800 -16.5200
37 C1a C 15.4700 -18.6200
38 O1a O 16.5777 -13.4177
BOND 39
1 1 12 1 #Down
2 5 6 1
3 6 1 1
4 13 14 1
5 14 15 1
6 14 16 1 #Down
7 15 17 1
8 17 18 1
9 17 19 1 #Down
10 18 20 1
11 18 21 2
12 20 22 2
13 22 23 1
14 23 25 1
15 23 26 1 #Down
16 25 24 1 #Down
17 25 27 1
18 5 7 1 #Down
19 1 2 1
20 13 28 1
21 3 8 1 #Down
22 28 29 1 #Down
23 2 3 1
24 28 30 1
25 2 9 1 #Up
26 27 31 1
27 3 4 1
28 31 32 2
29 8 10 1
30 31 33 1
31 33 30 1
32 4 5 1
33 30 34 2
34 8 11 1
35 33 35 1 #Up
36 13 12 1 #Down
37 24 36 1 #Up
38 24 37 1
39 23 38 1 #Up
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