ATOM 56
1 C1b C 23.4788 -21.8165
2 C1b C 24.8773 -21.8165
3 N1b N 25.5766 -20.6278
4 C1b C 26.9751 -20.6278
5 C1c C 27.6742 -19.4392
6 N1y N 29.0728 -19.4392
7 C1a C 26.9751 -18.2504
8 C8x C 31.8697 -21.8865
9 C8x C 33.2682 -21.8865
10 C8x C 33.9675 -20.6978
11 C8y C 33.2682 -19.5091
12 C8y C 31.8697 -19.5091
13 C8y C 31.1705 -20.6978
14 C8x C 33.9675 -18.2504
15 C8y C 33.2682 -17.0617
16 C8x C 31.8697 -17.0617
17 C8y C 31.1705 -18.2504
18 C5x C 29.7720 -18.2504
19 C5x C 29.7720 -20.6978
20 O5x O 29.0728 -21.8865
21 O5x O 29.0728 -17.0617
22 N2b N 33.9675 -15.8730 #+
23 O3a O 35.5757 -15.8730
24 O3a O 33.2682 -14.6843 #-
25 N1b N 22.7734 -20.5830
26 C1b C 21.3656 -20.5769
27 C1c C 20.5969 -19.3754
28 N1y N 19.2025 -19.3690
29 C1a C 21.2793 -18.1357
30 C5x C 18.5028 -18.1442
31 C8y C 17.1059 -18.1379
32 C8y C 16.4020 -19.3445
33 C8y C 17.1018 -20.5693
34 C5x C 18.4987 -20.5756
35 C8x C 16.4129 -16.9252
36 C8y C 15.0160 -16.9189
37 C8x C 14.3122 -18.1255
38 C8y C 15.0051 -19.3382
39 C8x C 14.3013 -20.5448
40 C8x C 15.0012 -21.7697
41 C8x C 16.3980 -21.7759
42 O5x O 19.1964 -16.9555
43 O5x O 19.1782 -21.7640
44 N2b N 14.3177 -15.6965 #+
45 O3a O 12.9145 -15.6901
46 O3a O 15.0085 -14.5126 #-
47 O1d O 38.5971 -18.6700
48 S4a S 38.5971 -20.0674
49 C1a C 37.1997 -20.0674
50 O1d O 39.9944 -20.0674
51 O1d O 38.5971 -21.4647
52 O1d O 38.5971 -18.6700
53 S4a S 38.5971 -20.0674
54 C1a C 37.1997 -20.0674
55 O1d O 39.9944 -20.0674
56 O1d O 38.5971 -21.4647
BOND 59
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 5 7 1 #Up
7 8 9 2
8 9 10 1
9 10 11 2
10 11 12 1
11 12 13 2
12 8 13 1
13 11 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 12 17 1
18 17 18 1
19 18 6 1
20 6 19 1
21 13 19 1
22 19 20 2
23 18 21 2
24 15 22 1
25 22 23 2
26 22 24 1
27 1 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 1 #Down
32 28 30 1
33 30 31 1
34 31 32 1
35 32 33 2
36 33 34 1
37 28 34 1
38 31 35 2
39 35 36 1
40 36 37 2
41 37 38 1
42 32 38 1
43 38 39 2
44 39 40 1
45 40 41 2
46 33 41 1
47 30 42 2
48 34 43 2
49 36 44 1
50 44 45 2
51 44 46 1
52 47 48 2
53 48 49 1
54 48 50 1
55 48 51 2
56 52 53 2
57 53 54 1
58 53 55 1
59 53 56 2
BRACKET 1 35.2800 -21.7700 35.2800 -17.7800
1 41.2300 -17.7800 41.2300 -21.7700
1 2
ORIGINAL 1 47 48 49 50 51
REPEAT 1 52 53 54 55 56
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