ATOM 54
1 C8y C 13.7900 -16.0300
2 C8x C 13.7900 -17.4300
3 C8y C 14.9800 -18.1300
4 C8x C 16.2400 -17.4300
5 C8y C 16.2400 -16.0300
6 C8y C 14.9800 -15.3300
7 C1y C 23.5200 -17.4300
8 C1x C 22.2600 -18.1300
9 C1z C 22.2600 -19.5300
10 C1y C 21.0700 -20.2300
11 C2x C 19.8100 -19.5300
12 C2x C 18.6200 -20.2300
13 C2x C 17.4300 -19.5300
14 C2y C 16.1700 -20.2300
15 O2a O 21.0700 -21.6300
16 C1x C 14.9800 -19.5300
17 C1a C 16.1700 -21.6300
18 C1y C 23.5200 -16.0300
19 N1y N 17.2200 -14.8400
20 C5x C 18.6200 -14.8400
21 C1x C 19.3200 -13.5800
22 C1y C 20.7200 -13.5800
23 C1z C 21.4200 -14.7700
24 C1y C 22.8200 -14.7700
25 O5x O 19.3200 -16.0300
26 O7a O 21.4200 -12.4600
27 C1a C 20.7200 -15.9600
28 C1a C 24.8500 -15.6800
29 O2a O 12.6000 -15.3300
30 X Cl 14.9800 -13.9300
31 C1a C 19.8800 -22.3300
32 C1a C 11.3400 -16.1000
33 N1x N 23.4500 -20.2300
34 C7x C 24.7100 -19.5300
35 O7x O 24.7100 -18.1300
36 O6a O 25.9000 -20.2300
37 O1a O 22.2600 -20.9300
38 C7a C 22.8200 -12.4600
39 C1c C 23.5200 -11.2700
40 O6a O 23.5200 -13.6500
41 C1a C 24.9200 -11.2700
42 C1a C 22.8200 -10.0800
43 O2x O 22.1200 -13.5800
44 C1y C 16.0300 -10.5700
45 C1y C 16.0300 -11.9700
46 C1y C 17.2200 -12.6700
47 O2x O 18.4800 -11.9700
48 C1y C 18.4800 -10.5700
49 C1y C 17.2200 -9.8700
50 O1a O 14.8400 -12.6700
51 O1a O 14.8400 -9.8700
52 O1a O 17.2200 -8.4700
53 C1b C 19.6700 -9.8700
54 O1a O 19.6700 -8.4700
BOND 58
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 10 15 1 #Down
15 14 16 1
16 16 3 1
17 14 17 1
18 7 18 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 18 1
25 20 25 2
26 22 26 1 #Down
27 23 27 1 #Up
28 18 28 1 #Down
29 5 19 1
30 1 29 1
31 6 30 1
32 15 31 1
33 29 32 1
34 9 33 1
35 33 34 1
36 34 35 1
37 7 35 1
38 34 36 2
39 9 37 1 #Down
40 26 38 1
41 38 39 1
42 38 40 2
43 39 41 1
44 39 42 1
45 23 43 1
46 43 24 1
47 44 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 44 49 1
53 46 19 1 #Up
54 45 50 1 #Down
55 44 51 1 #Up
56 49 52 1 #Down
57 48 53 1 #Up
58 53 54 1
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