ATOM 55
1 C1z C 18.2700 -11.2000
2 C2y C 18.6900 -9.9400
3 C2x C 17.6400 -9.1700
4 C1x C 16.5200 -9.9400
5 C1y C 16.9400 -11.2000
6 C2y C 22.3300 -10.8500
7 C1y C 22.3300 -12.1800
8 C0 C 21.0700 -10.5000
9 C0 C 19.8100 -10.2200
10 C0 C 21.0700 -12.6000
11 C0 C 19.9500 -12.6000
12 C1y C 18.6900 -12.6000
13 O1a O 16.1700 -12.2500
14 O2a O 17.4300 -12.6000
15 C1y C 16.5900 -13.9300
16 C1y C 15.1900 -13.9300
17 C1z C 14.4900 -15.1200
18 C1y C 15.1900 -16.3800
19 C1x C 16.5900 -16.3800
20 O2x O 17.2900 -15.1200
21 N1b N 14.4900 -17.5700
22 C2x C 23.4446 -10.0028
23 O1a O 14.4949 -12.7147
24 C5a C 14.4900 -18.9700
25 C8y C 13.2776 -19.6700
26 O5a O 15.7024 -19.6700
27 C8y C 12.0821 -18.9796
28 C8x C 10.8696 -19.6795
29 C8x C 10.8694 -21.0795
30 C8y C 12.0649 -21.7699
31 C8y C 13.2774 -21.0700
32 C1a C 12.0820 -17.5703
33 C1a C 12.0647 -23.1698
34 O1a O 14.5066 -21.7800
35 O1a O 13.2076 -14.3500
36 C1a C 13.1377 -15.6223
37 C1x C 25.2327 -10.5474
38 N1x N 25.2327 -11.9474
39 O2a O 23.4657 -12.9986
40 C1a C 23.4657 -14.3986
41 C8y C 21.1400 -17.0800
42 C8y C 21.1400 -18.4800
43 C8y C 22.3524 -19.1800
44 C8x C 23.5649 -18.4800
45 C8x C 23.5649 -17.0800
46 C8y C 22.3524 -16.3800
47 C1y C 22.3524 -20.5800
48 O1a O 21.1233 -21.2898
49 C1x C 23.5480 -21.2703
50 C5x C 25.2252 -20.5848
51 O5x O 26.4866 -21.2728
52 X Cl 19.9276 -19.1800
53 O2x O 19.7876 -16.3800
54 O2a O 22.3524 -14.9802
55 C1a C 21.1232 -14.2703
BOND 60
1 6 7 1
2 6 8 1
3 8 9 3
4 9 2 1
5 7 10 1
6 10 11 3
7 1 12 1
8 12 11 1
9 1 2 1
10 2 3 2
11 3 4 1
12 4 5 1
13 5 1 1
14 5 13 1 #Down
15 1 14 1 #Down
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 15 20 1
22 18 21 1 #Up
23 15 14 1 #Down
24 6 22 2
25 16 23 1 #Up
26 21 24 1
27 24 25 1
28 24 26 2
29 25 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 25 31 1
35 27 32 1
36 30 33 1
37 31 34 1
38 17 35 1 #Up
39 17 36 1 #Down
40 22 37 1
41 37 38 1
42 7 39 1 #Down
43 39 40 1
44 41 42 2
45 42 43 1
46 43 44 2
47 44 45 1
48 45 46 2
49 41 46 1
50 43 47 1
51 47 48 1 #Up
52 47 49 1
53 49 50 1
54 50 51 2
55 42 52 1
56 41 53 1
57 46 54 1
58 38 50 1
59 54 55 1
60 12 53 1 #Up
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