ATOM 54
1 C1x C 24.0800 -23.8700
2 C1y C 24.0800 -25.2000
3 C1x C 25.2000 -25.9000
4 C2y C 26.4600 -25.2000
5 C1z C 26.4600 -23.8700
6 C1y C 25.2000 -23.1700
7 C2x C 27.6500 -25.9000
8 C1x C 28.7700 -25.2000
9 C1y C 28.7700 -23.8700
10 C1y C 27.6500 -23.1700
11 C1y C 30.0300 -23.1700
12 C1z C 30.0300 -21.7700
13 C1x C 28.7700 -21.1400
14 C1x C 27.6500 -21.7700
15 C1x C 32.3400 -23.1700
16 C1y C 32.3400 -21.7700
17 C1y C 31.2200 -21.1400
18 O2x O 33.6000 -21.1400
19 C1z C 33.6000 -19.7400
20 C1y C 31.2200 -19.7400
21 O2x O 34.7200 -20.4400
22 C1x C 35.9100 -19.7400
23 C1y C 35.9100 -18.3400
24 C1x C 34.7200 -17.7100
25 C1x C 33.6000 -18.3400
26 C1a C 37.1000 -17.7100
27 C1a C 30.2400 -18.7600
28 C1a C 30.0300 -20.4400
29 C1a C 26.4600 -22.4700
30 O1a O 22.8900 -25.9000
31 O2a O 25.2000 -21.7700
32 C1y C 25.2000 -20.5100
33 C1y C 24.0800 -18.4100
34 C1y C 24.0800 -19.8100
35 O2x O 26.4600 -19.8100
36 C1y C 26.4600 -18.4100
37 C1y C 25.2000 -17.7800
38 C1a C 27.6500 -17.7800
39 O1a O 25.2000 -16.3800
40 O1a O 22.8900 -17.7800
41 O2a O 22.8900 -20.5100
42 C1y C 21.6300 -21.1400
43 C1y C 19.2500 -21.1400
44 C1y C 19.2500 -22.4700
45 C1y C 20.4400 -23.1700
46 O2x O 21.6300 -22.4700
47 C1y C 20.4400 -20.4400
48 C1a C 20.4400 -24.5700
49 O1a O 18.0600 -23.1700
50 O7a O 18.0600 -20.4400
51 O1a O 20.4400 -19.0400
52 C7a C 16.8419 -21.1301
53 C1a C 15.6605 -20.4350
54 O6a O 16.9002 -22.5394
BOND 61
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 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 16 18 1
22 18 19 1
23 19 20 1
24 17 20 1
25 19 21 1 #Down
26 21 22 1
27 22 23 1
28 23 24 1
29 24 25 1
30 19 25 1 #Up
31 23 26 1 #Up
32 20 27 1 #Down
33 12 28 1 #Up
34 5 29 1 #Up
35 2 30 1 #Up
36 6 31 1 #Up
37 32 31 1 #Up
38 33 34 1
39 34 32 1
40 32 35 1
41 35 36 1
42 36 37 1
43 33 37 1
44 36 38 1 #Up
45 37 39 1 #Up
46 33 40 1 #Up
47 34 41 1 #Down
48 42 41 1 #Down
49 43 44 1
50 44 45 1
51 45 46 1
52 46 42 1
53 42 47 1
54 43 47 1
55 45 48 1 #Up
56 44 49 1 #Down
57 43 50 1 #Up
58 47 51 1 #Up
59 50 52 1
60 52 53 1
61 52 54 2
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