ATOM 37
1 C1y C 22.7500 -18.6900
2 C2y C 23.8000 -19.3200
3 C1x C 21.9100 -19.5300
4 C1z C 22.7500 -17.4300
5 C1y C 24.9200 -18.6900
6 C2a C 23.8000 -20.6500
7 C1y C 19.4600 -19.5300
8 C1y C 21.0700 -16.3800
9 C1y C 23.8000 -16.8000
10 C1a C 22.7500 -15.9600
11 O7a O 25.9700 -19.3900
12 C1x C 24.9200 -17.4300
13 C1z C 19.4600 -18.2700
14 C1x C 18.4100 -20.1600
15 C1y C 18.4100 -16.3800
16 C2y C 18.4100 -17.6400
17 C1a C 20.5800 -17.2900
18 C1a C 20.5100 -18.7600
19 C1y C 17.2900 -19.5300
20 O7a O 17.2900 -15.7500
21 C2y C 17.2900 -18.2700
22 C1a C 16.1700 -17.6400
23 C7a C 27.1600 -18.8300
24 C1a C 28.2800 -19.4600
25 O6a O 27.1600 -17.5700
26 O7a O 21.4200 -14.9800
27 C7a C 20.5100 -14.0000
28 C7a C 17.2900 -14.2800
29 C1a C 16.1000 -13.6500
30 O6a O 18.4800 -13.5800
31 O6a O 19.1800 -14.2800
32 C1a C 20.8600 -12.6000
33 O7a O 16.1000 -20.2300
34 C7a C 14.9100 -19.5300
35 C1a C 13.7200 -20.2300
36 O6a O 14.9100 -18.1300
37 O1a O 24.1500 -15.4000
BOND 39
1 2 6 2
2 3 7 1
3 4 8 1
4 4 9 1
5 4 10 1 #Up
6 5 11 1 #Down
7 5 12 1
8 7 13 1
9 7 14 1
10 8 15 1
11 13 16 1
12 13 17 1
13 13 18 1
14 14 19 1
15 15 20 1 #Up
16 16 21 2
17 21 22 1
18 9 12 1
19 15 16 1
20 19 21 1
21 1 2 1
22 1 3 1
23 11 23 1
24 1 4 1
25 23 24 1
26 2 5 1
27 23 25 2
28 8 26 1 #Down
29 26 27 1
30 20 28 1
31 28 29 1
32 28 30 2
33 27 31 2
34 27 32 1
35 19 33 1 #Down
36 33 34 1
37 34 35 1
38 34 36 2
39 9 37 1 #Up
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