ATOM 63
1 C8x C 4.5500 -15.4700
2 C8x C 4.5500 -16.8700
3 C8x C 5.7400 -17.5700
4 C8y C 7.0000 -16.8700
5 C8y C 7.0000 -15.4700
6 C8x C 5.7400 -14.7700
7 C5x C 8.1900 -17.5700
8 C2y C 9.3800 -16.8700
9 C2y C 9.3800 -15.4700
10 C5x C 8.1900 -14.7700
11 C1a C 10.6400 -14.7700
12 O5x O 8.1900 -13.3700
13 O5x O 8.1900 -18.9700
14 C1b C 10.6400 -17.5700
15 C1a C 13.0200 -18.9700
16 C2c C 13.0200 -17.5700
17 C2b C 11.8300 -16.8700
18 C1b C 15.4700 -17.5700
19 C1b C 14.2800 -16.8700
20 C1c C 17.9200 -17.5700
21 C1b C 16.6600 -16.8700
22 C1a C 17.9200 -18.9700
23 C1b C 20.3000 -17.5700
24 C1b C 19.1100 -16.8700
25 C1a C 22.7500 -18.9700
26 C2c C 22.7500 -17.5700
27 C2b C 21.4900 -16.8700
28 C1b C 25.1300 -17.5700
29 C1b C 23.9400 -16.8700
30 C1a C 27.5800 -18.9700
31 C2c C 27.5800 -17.5700
32 C2b C 26.3900 -16.8700
33 C1b C 28.7700 -16.8700
34 O2a O 29.9824 -17.5700
35 S4a S 31.3824 -17.5700
36 O1d O 31.3824 -16.1700
37 O1d O 31.3824 -18.9700
38 O1d O 32.7824 -17.5700
39 C1b C 20.3000 -17.5700
40 C1a C 22.7500 -18.9700
41 C2c C 22.7500 -17.5700
42 C2b C 21.4900 -16.8700
43 C1b C 23.9400 -16.8700
44 C1b C 20.3000 -17.5700
45 C1a C 22.7500 -18.9700
46 C2c C 22.7500 -17.5700
47 C2b C 21.4900 -16.8700
48 C1b C 23.9400 -16.8700
49 C1b C 20.3000 -17.5700
50 C1a C 22.7500 -18.9700
51 C2c C 22.7500 -17.5700
52 C2b C 21.4900 -16.8700
53 C1b C 23.9400 -16.8700
54 C1b C 20.3000 -17.5700
55 C1a C 22.7500 -18.9700
56 C2c C 22.7500 -17.5700
57 C2b C 21.4900 -16.8700
58 C1b C 23.9400 -16.8700
59 C1b C 20.3000 -17.5700
60 C1a C 22.7500 -18.9700
61 C2c C 22.7500 -17.5700
62 C2b C 21.4900 -16.8700
63 C1b C 23.9400 -16.8700
BOND 64
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 10 12 2
14 7 13 2
15 8 14 1
16 15 16 1
17 16 17 2
18 14 17 1
19 18 19 1
20 16 19 1
21 20 21 1
22 18 21 1
23 20 22 1
24 20 24 1
25 30 31 1
26 31 32 2
27 28 32 1
28 31 33 1
29 33 34 1
30 34 35 1
31 35 36 2
32 35 37 2
33 35 38 1
34 23 24 1
35 25 26 1
36 26 27 2
37 23 27 1
38 26 29 1
39 29 39 1
40 40 41 1
41 41 42 2
42 39 42 1
43 41 43 1
44 43 44 1
45 45 46 1
46 46 47 2
47 44 47 1
48 46 48 1
49 48 49 1
50 50 51 1
51 51 52 2
52 49 52 1
53 51 53 1
54 53 54 1
55 55 56 1
56 56 57 2
57 54 57 1
58 56 58 1
59 58 59 1
60 60 61 1
61 61 62 2
62 59 62 1
63 61 63 1
64 63 28 1
BRACKET 1 19.8800 -18.6900 19.8800 -16.3100
1 24.6400 -16.3100 24.6400 -18.6900
1 6
ORIGINAL 1 23 25 26 27 29
REPEAT 1 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
1 55 56 57 58 59 60 61 62 63
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