ATOM 44
1 C1y C 23.4500 -19.5300
2 C1y C 22.2600 -20.1600
3 C1z C 23.4500 -18.1300
4 C1x C 25.9000 -19.5300
5 C1y C 21.1400 -19.4600
6 C1x C 22.2600 -21.5600
7 C1z C 24.7100 -17.4300
8 C1x C 22.3300 -17.4300
9 C1a C 23.5200 -16.6600
10 C1x C 25.9000 -18.1300
11 C1z C 19.8800 -20.1600
12 C1y C 21.1400 -18.1300
13 C1x C 21.0700 -22.2600
14 C5a C 24.7100 -15.9600
15 O1a O 25.9700 -17.0800
16 C2y C 19.8800 -21.5600
17 C2x C 18.6900 -19.4600
18 C1a C 19.8800 -18.8300
19 O1a O 19.8800 -17.4300
20 C1b C 25.8300 -15.2600
21 O5a O 23.4500 -15.2600
22 C2x C 18.6900 -22.2600
23 C2x C 17.5700 -20.1600
24 O7a O 27.0200 -15.9600
25 C5x C 17.5700 -21.5600
26 C7a C 28.2100 -15.2600
27 O5x O 16.3100 -22.2600
28 C1b C 29.4000 -15.9600
29 O6a O 28.2100 -13.8600
30 C1b C 30.5900 -15.2600
31 C1b C 31.8500 -15.9600
32 C8y C 33.0400 -15.2600
33 C8x C 34.2300 -15.9600
34 C8x C 35.4200 -15.2600
35 C8y C 35.4200 -13.8600
36 C8x C 34.2300 -13.1600
37 C8x C 33.0400 -13.8600
38 N1c N 36.6800 -13.1600
39 C1b C 37.8700 -13.8600
40 C1b C 36.6800 -11.7600
41 C1b C 37.8700 -11.0600
42 X Cl 39.0600 -11.7600
43 C1b C 39.0600 -13.1600
44 X Cl 40.2500 -13.8600
BOND 48
1 3 7 1
2 3 8 1
3 3 9 1 #Up
4 4 10 1
5 5 11 1
6 5 12 1
7 6 13 1
8 7 14 1 #Up
9 7 15 1 #Down
10 11 16 1
11 11 17 1
12 11 18 1 #Up
13 12 19 1 #Up
14 14 20 1
15 14 21 2
16 16 22 2
17 17 23 2
18 20 24 1
19 22 25 1
20 24 26 1
21 25 27 2
22 26 28 1
23 26 29 2
24 7 10 1
25 8 12 1
26 13 16 1
27 23 25 1
28 1 2 1
29 28 30 1
30 1 3 1
31 30 31 1
32 1 4 1
33 2 5 1
34 2 6 1
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 32 37 1
42 35 38 1
43 38 39 1
44 38 40 1
45 40 41 1
46 41 42 1
47 39 43 1
48 43 44 1
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