ATOM 64
1 C1z C 16.1833 -16.9539
2 C1y C 14.7821 -16.9539
3 C1y C 16.8839 -18.1449
4 O2x O 15.4827 -18.1449
5 C1a C 16.8138 -15.6929
6 C1y C 13.8714 -15.6929
7 C1x C 18.2850 -18.1449
8 O7a O 16.1833 -19.3359
9 C1y C 13.8714 -14.2217
10 C1a C 12.6804 -15.6929
11 C5x C 18.9155 -16.9539
12 C7a C 16.8839 -20.5269
13 C1x C 14.9923 -13.5211
14 O7x O 12.6104 -13.5912
15 N1y N 20.3167 -16.9539
16 O5x O 18.2150 -15.6929
17 C1c C 18.2850 -20.5269
18 O6a O 16.1833 -21.7879
19 C1z C 15.0624 -12.1900
20 C7x C 12.6104 -12.1900
21 C8y C 21.0873 -15.6929
22 C1a C 21.0173 -18.1449
23 N1c N 18.9856 -21.7879
24 C1a C 18.9856 -19.3359
25 C1y C 16.2533 -11.4894
26 N1x N 13.8013 -11.4894
27 O1a O 14.9923 -10.5086
28 O6a O 11.4194 -11.4894
29 C8x C 21.0873 -14.3618
30 C8y C 22.2082 -16.4635
31 C5a C 20.3867 -21.7879
32 C1a C 18.2850 -22.9789
33 C2x C 17.4443 -12.1900
34 O2a O 16.2533 -10.0883
35 C8y C 22.2783 -13.6612
36 C8y C 23.4693 -15.7629
37 X Cl 22.2082 -17.8647
38 C1b C 21.0873 -22.9789
39 O5a O 21.0173 -20.5269
40 C2x C 18.7054 -11.4894
41 C1a C 17.4443 -9.3877
42 C8x C 23.4693 -14.3618
43 C1x C 22.2783 -12.2601
44 O2a O 24.6603 -16.4635
45 C2x C 19.8963 -12.1900
46 C2y C 21.0873 -11.5595
47 C1a C 25.8512 -15.7629
48 C1a C 21.0873 -10.1583
49 C1b C 22.4700 -22.9674
50 C1d C 23.1768 -24.1685
51 S3a S 24.5700 -24.1568
52 C1a C 21.7768 -24.1685
53 C1a C 22.4768 -25.3809
54 S3a S 25.2627 -22.9334
55 C1b C 26.6695 -22.9915
56 C1b C 27.4335 -21.7865
57 C1c C 28.8380 -21.7748
58 C6a C 29.5464 -22.9787
59 S4a S 29.5305 -20.5521
60 O1d O 30.2305 -19.3397
61 O1d O 28.3180 -19.8521
62 O1d O 30.7429 -21.2521
63 O6a O 30.9400 -22.9670
64 O6a O 28.8629 -24.1854
BOND 67
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 6 9 1
9 6 10 1 #Down
10 7 11 1
11 8 12 1
12 9 13 1
13 9 14 1
14 11 15 1
15 11 16 2
16 12 17 1
17 12 18 2
18 13 19 1
19 14 20 1
20 15 21 1
21 15 22 1
22 17 23 1
23 17 24 1 #Down
24 19 25 1
25 19 26 1
26 19 27 1 #Down
27 20 28 2
28 21 29 2
29 21 30 1
30 23 31 1
31 23 32 1
32 25 33 1
33 25 34 1 #Down
34 29 35 1
35 30 36 2
36 30 37 1
37 31 38 1
38 31 39 2
39 33 40 2
40 34 41 1
41 35 42 2
42 35 43 1
43 36 44 1
44 40 45 1
45 43 46 1
46 44 47 1
47 46 48 1
48 2 4 1
49 20 26 1
50 36 42 1
51 45 46 2
52 38 49 1
53 49 50 1
54 50 51 1
55 50 52 1
56 50 53 1
57 51 54 1
58 54 55 1
59 55 56 1
60 56 57 1
61 57 58 1
62 57 59 1
63 59 60 1
64 59 61 2
65 59 62 2
66 58 63 2
67 58 64 1
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