ATOM 43
1 C8y C 15.0500 -16.8000
2 C8y C 15.0500 -18.2000
3 C8x C 16.2400 -18.8300
4 C8y C 17.4300 -18.2000
5 C8y C 17.4300 -16.8000
6 C8y C 16.2400 -16.1000
7 N4x N 18.7600 -18.6200
8 C8y C 19.6000 -17.5000
9 C8y C 18.7600 -16.3800
10 C1z C 20.8600 -17.0800
11 C1y C 20.8600 -15.6800
12 C1y C 19.6000 -15.2600
13 C1z C 22.1200 -17.7100
14 C1z C 23.3100 -17.0800
15 C1x C 23.3100 -15.6800
16 C1x C 22.1200 -14.9800
17 C1x C 22.1200 -19.1100
18 C1x C 23.3100 -19.8100
19 C1y C 24.5000 -19.1100
20 C2y C 24.5000 -17.7100
21 O2x O 25.6900 -19.8100
22 C1y C 26.8800 -19.1100
23 C1y C 26.8800 -17.7100
24 C2x C 25.6900 -17.0800
25 C1a C 20.8600 -18.4800
26 O1a O 24.5000 -16.3800
27 C2c C 28.1400 -19.8100
28 C1a C 21.5600 -16.2400
29 O1a O 28.1400 -17.0100
30 C2a C 28.1400 -21.4200
31 C1a C 29.4000 -19.1100
32 C1y C 16.2400 -14.7000
33 C1y C 15.0500 -14.0000
34 C2y C 13.8600 -14.7000
35 C1x C 13.8600 -16.1000
36 C1y C 16.9400 -13.5100
37 C1x C 15.6800 -12.8100
38 C2a C 12.6000 -14.0000
39 O2x O 19.6000 -13.8600
40 C1z C 18.2700 -13.1600
41 C1a C 19.2500 -12.1100
42 C1a C 17.2900 -12.1100
43 X Cl 13.8506 -18.9221
BOND 51
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 2
30 10 25 1 #Down
31 14 26 1 #Down
32 22 27 1 #Up
33 13 28 1 #Up
34 23 29 1 #Up
35 27 30 2
36 27 31 1
37 6 32 1
38 32 33 1
39 33 34 1
40 34 35 1
41 1 35 1
42 32 36 1
43 36 37 1
44 33 37 1
45 34 38 2
46 12 39 1
47 36 40 1
48 39 40 1
49 40 41 1
50 40 42 1
51 2 43 1
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