ATOM 48
1 C1y C 17.2900 -21.0700
2 C1y C 17.2900 -22.4700
3 C1y C 18.4800 -23.1700
4 C1y C 19.7400 -22.4700
5 C1y C 19.7400 -21.0700
6 O2x O 18.4800 -20.3700
7 O1a O 18.4800 -24.5700
8 C1b C 16.1000 -20.3700
9 O1a O 14.9100 -21.0700
10 O1a O 16.1000 -23.1700
11 O2a O 20.9300 -20.3700
12 N1a N 20.9300 -23.1700
13 C1y C 23.1700 -17.6400
14 C1y C 23.1700 -19.0400
15 C1y C 24.3600 -19.7400
16 C1y C 25.6200 -19.0400
17 C1y C 25.6200 -17.6400
18 O2x O 24.3600 -16.9400
19 O1a O 24.3600 -21.1400
20 C6a C 21.9800 -16.9400
21 O6a O 20.7900 -17.6400
22 O2a O 26.8100 -16.9400
23 O2a O 26.8100 -19.7400
24 O6a O 21.9800 -15.5400
25 S4a S 28.2100 -19.7400
26 O1d O 29.6100 -19.7400
27 O1d O 28.2100 -18.3400
28 O1d O 28.2100 -21.1400
29 C1y C 28.0000 -14.8400
30 C1y C 28.0000 -16.2400
31 C1y C 29.1900 -16.9400
32 C1y C 30.4500 -16.2400
33 C1y C 30.4500 -14.8400
34 O2x O 29.1900 -14.1400
35 O1a O 29.1900 -18.3400
36 C1b C 26.8100 -14.1400
37 O1a O 31.6400 -14.1400
38 N1b N 31.6400 -16.9400
39 O2a O 25.4100 -14.1400
40 S4a S 24.0100 -14.1400
41 O1d O 22.6100 -14.1400
42 O1d O 24.0100 -12.7400
43 O1d O 24.0100 -15.5400
44 Z * 35.2800 -14.1400
45 S4a S 33.0400 -16.9400
46 O1d O 34.4400 -16.9400
47 O1d O 33.0400 -15.5400
48 O1d O 33.0400 -18.3400
BOND 50
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1 #Up
8 1 8 1 #Up
9 8 9 1
10 2 10 1 #Down
11 5 11 1 #Down
12 4 12 1 #Down
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 13 18 1
19 15 19 1 #Up
20 13 20 1 #Down
21 20 21 1
22 14 11 1 #Down
23 17 22 1 #Up
24 16 23 1 #Down
25 20 24 2
26 23 25 1
27 25 26 1
28 25 27 2
29 25 28 2
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 29 34 1
36 31 35 1 #Up
37 29 36 1 #Up
38 30 22 1 #Down
39 33 37 1 #Down
40 32 38 1 #Down
41 36 39 1
42 39 40 1
43 40 41 1
44 40 42 2
45 40 43 2
46 37 44 1
47 38 45 1
48 45 46 1
49 45 47 2
50 45 48 2
BRACKET 1 22.2600 -20.5800 22.2600 -18.4800
1 33.8100 -12.9500 33.8100 -15.0500
1 n
ORIGINAL 1 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28
1 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 45
1 46 47 48
REPEAT 1
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