ATOM 80
1 C8y C 19.9109 -21.2973
2 C8y C 21.0359 -20.5941
3 C8y C 18.7155 -20.5941
4 O1a O 19.9109 -22.6333
5 C8x C 21.0359 -19.2581
6 O2x O 22.1610 -21.2973
7 C8x C 18.7155 -19.2581
8 O2x O 17.5201 -21.2973
9 C8y C 19.8405 -18.5549
10 C8y C 23.3564 -20.5941
11 C8y C 16.3951 -20.5941
12 C1y C 19.8405 -16.4455
13 C8y C 23.3564 -19.2581
14 C8x C 24.5517 -21.2270
15 C8y C 15.1997 -21.2973
16 C8x C 16.3951 -19.2581
17 C5x C 20.9656 -15.8126
18 N1x N 18.6452 -15.8126
19 C8x C 24.5517 -18.5549
20 X Cl 22.1610 -18.5549
21 C8x C 25.6768 -20.5941
22 C8x C 14.0746 -20.5941
23 X Cl 15.1997 -22.6333
24 C8x C 15.1997 -18.5549
25 N1x N 22.1610 -16.4455
26 O5x O 20.9656 -14.4063
27 C5x C 17.5201 -16.4455
28 C8y C 25.6768 -19.2581
29 C8y C 14.0746 -19.2581
30 C1y C 23.3564 -15.8126
31 C1y C 16.3247 -15.8126
32 O5x O 17.5201 -17.7815
33 C1y C 26.8019 -18.5549
34 C1y C 12.8792 -18.5549
35 C8y C 23.3560 -14.4063
36 C5x C 24.4814 -16.4455
37 N1x N 15.1997 -16.4455
38 C1y C 26.8019 -16.4455
39 O1a O 27.9972 -19.2581
40 C1y C 12.8792 -16.5158
41 O1a O 11.6839 -19.2581
42 C8x C 24.4814 -13.7734
43 C8x C 22.1610 -13.7734
44 N1x N 25.6065 -15.7423
45 C5x C 14.0043 -15.8126
46 C5x C 27.9972 -15.8126
47 N1b N 11.6839 -15.8126
48 C8y C 24.4814 -12.4374
49 C8x C 22.1610 -12.4374
50 O5x O 14.0043 -14.4766
51 N1x N 27.9972 -14.4063
52 O5x O 29.1223 -16.4455
53 C5a C 10.5588 -16.4455
54 C8y C 25.6068 -11.7343
55 C8y C 23.2860 -11.7343
56 C1y C 26.8019 -13.7734
57 C1c C 9.3634 -15.8126
58 O5a O 10.5588 -17.7815
59 C8y C 26.8019 -12.4374
60 C8y C 25.6065 -10.3983
61 C6a C 29.0520 -12.5077
62 C1b C 9.3634 -14.4766
63 N1b N 8.2384 -16.4455
64 C8x C 27.9972 -11.7343
65 C8x C 26.8019 -9.7654
66 O1a O 24.4814 -9.7654
67 C8y C 27.9969 -10.3983
68 O1a O 29.1223 -9.6951
69 O5x O 24.4814 -17.8518
70 O1a O 23.2860 -10.3279
71 O6a O 30.2473 -13.2109
72 O6a O 29.0520 -11.1014
73 C1a C 8.1681 -17.8518
74 C1c C 8.1681 -13.7734
75 C1a C 6.9727 -14.4766
76 C1a C 8.1681 -12.4374
77 C1b C 16.3247 -13.6328
78 C5a C 17.5201 -12.9296
79 N1a N 18.7155 -13.5625
80 O5a O 17.5201 -11.5233
BOND 87
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 5 9 1
9 6 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 10 14 2
14 11 15 1
15 11 16 2
16 12 17 1
17 12 18 1 #Up
18 13 19 2
19 13 20 1
20 14 21 1
21 15 22 2
22 15 23 1
23 16 24 1
24 17 25 1
25 17 26 2
26 18 27 1
27 19 28 1
28 22 29 1
29 25 30 1
30 27 31 1
31 27 32 2
32 28 33 1
33 29 34 1
34 30 35 1
35 30 36 1 #Down
36 31 37 1
37 33 38 1
38 33 39 1 #Down
39 34 40 1
40 34 41 1 #Up
41 35 42 1
42 35 43 2
43 36 44 1
44 37 45 1
45 38 46 1
46 40 47 1 #Up
47 42 48 2
48 43 49 1
49 45 50 2
50 46 51 1
51 46 52 2
52 47 53 1
53 48 54 1
54 48 55 1
55 51 56 1
56 53 57 1
57 53 58 2
58 54 59 2
59 54 60 1
60 56 61 1 #Down
61 57 62 1
62 57 63 1 #Down
63 59 64 1
64 60 65 2
65 60 66 1
66 64 67 2
67 67 68 1
68 7 9 2
69 21 28 2
70 24 29 2
71 38 44 1 #Down
72 40 45 1
73 49 55 2
74 56 59 1
75 65 67 1
76 36 69 2
77 55 70 1
78 61 71 1
79 61 72 2
80 63 73 1
81 62 74 1
82 74 75 1
83 74 76 1
84 31 77 1 #Up
85 77 78 1
86 78 79 1
87 78 80 2
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