ATOM 50
1 O1a O 17.3481 -18.5373
2 C1y C 18.5373 -17.8378
3 C1y C 19.7965 -18.6073
4 C1x C 20.9856 -17.9077
5 C1y C 20.9856 -16.5087
6 C1y C 19.7965 -15.8092
7 C1y C 18.5373 -16.5087
8 N1b N 19.7965 -20.0063
9 O2a O 17.3481 -15.8092
10 N1a N 22.2448 -15.8092
11 O2a O 19.7965 -14.4101
12 C1y C 20.9856 -13.7106
13 O2x O 22.1748 -14.4101
14 C1y C 23.3640 -13.7106
15 C1y C 23.3640 -12.3116
16 C1y C 22.1748 -11.6121
17 C1y C 20.9856 -12.3116
18 C1b C 24.6232 -14.4101
19 N1a N 19.7265 -11.6121
20 O1a O 22.1748 -10.2130
21 O1a O 24.5532 -11.6121
22 N1a N 24.6232 -15.8092
23 C1y C 14.1303 -17.5580
24 C1y C 15.5294 -17.5580
25 C1y C 15.9491 -16.2289
26 O2x O 14.8299 -15.3895
27 C1y C 13.7106 -16.2289
28 C1b C 12.3815 -15.8092
29 O1a O 11.3322 -16.7186
30 O1a O 13.2909 -18.6772
31 O1a O 16.3688 -18.6772
32 C5a C 20.9856 -20.7058
33 C1c C 22.2448 -20.0063
34 C1b C 23.4340 -20.7058
35 C1b C 24.6232 -20.0063
36 N1a N 25.8823 -20.7058
37 O5a O 20.9856 -22.1049
38 O1a O 22.2448 -18.6073
39 S4a S 32.8300 -13.7900
40 O1d O 32.8300 -12.3900
41 O1d O 32.8300 -15.1900
42 O1d O 31.4300 -13.7900
43 O1d O 34.2300 -13.7900
44 O0 O 32.4800 -18.6200
45 O0 O 32.4800 -20.3700
46 S4a S 32.8300 -13.7900
47 O1d O 32.8300 -12.3900
48 O1d O 32.8300 -15.1900
49 O1d O 31.4300 -13.7900
50 O1d O 34.2300 -13.7900
BOND 48
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 16 20 1 #Up
22 15 21 1 #Down
23 18 22 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 23 27 1
29 27 28 1 #Up
30 28 29 1
31 23 30 1 #Either
32 24 31 1 #Down
33 25 9 1 #Up
34 8 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 32 37 2
40 33 38 1 #Up
41 39 40 2
42 39 41 2
43 39 42 1
44 39 43 1
45 46 47 2
46 46 48 2
47 46 49 1
48 46 50 1
BRACKET 1 29.4000 -16.3100 29.4000 -11.0600
1 36.4000 -11.0600 36.4000 -16.3100
1 2
ORIGINAL 1 39 40 41 42 43
REPEAT 1 46 47 48 49 50
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