ATOM 60
1 C1y C 9.3817 -8.9580
2 C1y C 8.1701 -9.6104
3 C1z C 9.3817 -7.5600
4 C1x C 11.8049 -8.9580
5 C1y C 7.0051 -8.9114
6 C1x C 8.1701 -11.0084
7 C1z C 10.5933 -6.9076
8 C1x C 8.2167 -6.8610
9 C1a C 9.3351 -6.1384
10 C1x C 11.8049 -7.6066
11 C1z C 5.7935 -9.6104
12 C1y C 7.0051 -7.5600
13 C1x C 6.9585 -11.7073
14 C5a C 10.5933 -5.5096
15 O1a O 11.8981 -6.5348
16 C2y C 5.7935 -11.0084
17 C2x C 4.5819 -8.9114
18 C1a C 5.7935 -8.3056
19 O1a O 5.7935 -6.8610
20 C1b C 11.7583 -4.8106
21 O5a O 9.3817 -4.8106
22 C2x C 4.5819 -11.7073
23 C2x C 3.4170 -9.6104
24 O7a O 12.9698 -5.5096
25 C5x C 3.4170 -11.0084
26 C7a C 14.1348 -4.8106
27 O5x O 2.2054 -11.7073
28 C1b C 15.3464 -5.5096
29 O6a O 14.1348 -3.4127
30 C1b C 16.5580 -4.8106
31 C6a C 17.7696 -5.5096
32 O6a O 18.9346 -4.8106
33 O6a O 17.7696 -6.9076
34 N1y N 19.5152 -10.2683
35 C8y C 18.3019 -10.9623
36 C8y C 20.7111 -10.9623
37 C8y C 18.3019 -12.3565
38 C8x C 17.1001 -10.2683
39 C8y C 20.7111 -12.3565
40 C8x C 21.9069 -10.2683
41 S2x S 19.5152 -13.0565
42 C8x C 17.1001 -13.0565
43 C8x C 15.8869 -10.9623
44 C8x C 21.9069 -13.0565
45 C8y C 23.1204 -10.9623
46 C8x C 15.8869 -12.3565
47 C8x C 23.1204 -12.3565
48 C1b C 19.5201 -8.8450
49 C1b C 20.6920 -8.1332
50 C1b C 20.7456 -6.7420
51 N1y N 21.8811 -6.0269
52 C1x C 23.0984 -6.7107
53 C1x C 24.3040 -5.9957
54 N1y N 24.2875 -4.5941
55 C1x C 23.0702 -3.9103
56 C1x C 21.9347 -4.6253
57 C1b C 25.5280 -3.8585
58 C1b C 26.7414 -4.5406
59 O1a O 27.9571 -3.8195
60 X Cl 24.3456 -10.2518
BOND 66
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 31 32 1
34 2 5 1
35 31 33 2
36 2 6 1
37 34 35 1
38 34 36 1
39 35 37 2
40 35 38 1
41 36 39 2
42 36 40 1
43 37 41 1
44 37 42 1
45 38 43 2
46 39 44 1
47 40 45 2
48 42 46 2
49 44 47 2
50 39 41 1
51 43 46 1
52 45 47 1
53 34 48 1
54 48 49 1
55 49 50 1
56 50 51 1
57 51 52 1
58 52 53 1
59 53 54 1
60 54 55 1
61 55 56 1
62 51 56 1
63 54 57 1
64 57 58 1
65 58 59 1
66 45 60 1
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