ATOM 49
1 C1b C 31.8500 -16.3800
2 C1b C 33.0400 -15.6800
3 C1b C 34.2300 -16.3800
4 C1c C 35.4200 -15.6800
5 C1b C 36.6100 -16.3800
6 C1c C 37.8000 -15.6800
7 C1c C 38.9900 -16.3800
8 C1a C 40.1800 -15.6800
9 N1a N 38.9900 -17.7800
10 O1a O 37.8000 -14.2800
11 O1a O 35.4200 -14.2800
12 C1b C 30.6795 -15.6750
13 C1b C 19.8800 -16.3800
14 C1b C 21.0700 -15.6800
15 C1c C 22.2600 -16.3800
16 C1c C 23.4500 -15.6800
17 C1c C 24.6400 -16.3800
18 C1b C 25.8300 -15.6800
19 C1c C 27.0200 -16.3800
20 C1b C 28.2100 -15.6800
21 C1b C 29.4700 -16.3800
22 C1a C 27.0200 -17.7800
23 O7a O 24.6400 -19.0400
24 O7a O 23.4500 -14.2800
25 C1a C 22.2600 -17.7800
26 C1b C 18.6900 -15.6800
27 C1a C 17.5000 -16.3800
28 C7a C 23.4500 -19.7400
29 C1b C 22.2600 -19.0400
30 C1c C 21.0700 -19.7400
31 C1b C 19.8100 -19.0400
32 C6a C 18.6200 -19.7400
33 C7a C 22.2600 -13.5800
34 C1b C 21.0700 -14.2800
35 C1c C 19.8800 -13.5800
36 C1b C 18.7600 -14.2800
37 C6a C 17.5700 -13.5800
38 O6a O 23.4500 -21.1400
39 C6a C 21.0700 -21.1400
40 O6a O 19.8100 -21.8400
41 O6a O 22.2600 -21.8400
42 O6a O 17.4300 -19.0400
43 O6a O 18.6200 -20.9300
44 O6a O 22.2600 -12.2500
45 C6a C 19.8800 -12.2500
46 O6a O 18.7600 -11.5500
47 O6a O 21.1400 -11.5500
48 O6a O 16.3800 -14.2800
49 O6a O 17.5700 -12.3900
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 7 9 1 #Down
9 6 10 1 #Down
10 4 11 1 #Up
11 1 12 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 17 1
16 17 18 1
17 18 19 1
18 19 20 1
19 20 21 1
20 19 22 1 #Down
21 17 23 1 #Down
22 16 24 1 #Up
23 15 25 1 #Down
24 13 26 1
25 26 27 1
26 23 28 1
27 28 29 1
28 29 30 1
29 30 31 1
30 31 32 1
31 24 33 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 28 38 2
37 30 39 1 #Down
38 39 40 1
39 39 41 2
40 32 42 1
41 32 43 2
42 33 44 2
43 35 45 1 #Up
44 45 46 1
45 45 47 2
46 37 48 1
47 37 49 2
48 12 21 1
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