ATOM 49
1 C1y C 9.8000 -18.3400
2 C1y C 11.2000 -18.3400
3 C1y C 11.6200 -17.0100
4 C1y C 10.5000 -16.1700
5 O2x O 9.3800 -17.0100
6 O2b O 12.1800 -19.3200
7 C1b C 8.6100 -19.0400
8 R R 9.8000 -14.9800
9 O2b O 7.2100 -19.0400
10 P1b P 5.8100 -19.0400
11 O1c O 5.8100 -20.4400
12 O1c O 5.8100 -17.6400
13 O1c O 4.2000 -19.0400
14 C1y C 19.1100 -18.6200
15 C1y C 20.5100 -18.6200
16 C1y C 20.9300 -17.2900
17 C1y C 19.8100 -16.4500
18 O2x O 18.6900 -17.2900
19 O2b O 21.2800 -19.4600
20 C1b C 17.9200 -19.3200
21 O2b O 16.5200 -19.3200
22 P1b P 15.1200 -19.3200
23 O1c O 15.1200 -20.7200
24 O1c O 15.1200 -17.9200
25 C1y C 27.7900 -18.7600
26 C1y C 29.1900 -18.7600
27 C1y C 29.6100 -17.4300
28 C1y C 28.4900 -16.5900
29 O2x O 27.3700 -17.4300
30 O1a O 30.1700 -19.7400
31 C1b C 26.6000 -19.4600
32 R R 27.7900 -15.4000
33 O2b O 25.2000 -19.4600
34 P1b P 23.8000 -19.4600
35 O1c O 23.8000 -20.8600
36 O1c O 23.8000 -18.0600
37 C8y C 18.0600 -13.3700
38 C8y C 18.0600 -14.7700
39 N5x N 16.8700 -15.4700
40 C8x C 15.6100 -14.7700
41 N5x N 15.6100 -13.3700
42 C8y C 16.8700 -12.6700
43 N4y N 19.3900 -15.1900
44 C8x C 20.2300 -14.0700
45 N5x N 19.3900 -12.9500
46 N1a N 16.8700 -11.2700
47 O1a O 12.6000 -16.0300
48 O1a O 21.7000 -16.1700
49 O1a O 30.5900 -16.4500
BOND 53
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 1 7 1 #Up
8 4 8 1 #Up
9 7 9 1
10 9 10 1
11 10 11 2
12 10 12 1
13 10 13 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 14 18 1
19 15 19 1 #Down
20 14 20 1 #Up
21 20 21 1
22 21 22 1
23 22 23 2
24 22 24 1
25 22 6 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 25 29 1
31 26 30 1 #Down
32 25 31 1 #Up
33 28 32 1 #Up
34 31 33 1
35 33 34 1
36 34 35 2
37 34 36 1
38 34 19 1
39 37 38 2
40 38 39 1
41 39 40 2
42 40 41 1
43 41 42 2
44 37 42 1
45 38 43 1
46 43 44 1
47 44 45 2
48 37 45 1
49 42 46 1
50 17 43 1 #Up
51 3 47 1 #Down
52 16 48 1 #Down
53 27 49 1 #Down
BRACKET 1 5.3900 -20.9300 5.3900 -13.5800
1 13.5100 -13.5800 13.5100 -20.9300
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 48
REPEAT 1
2 23.4500 -21.3500 23.4500 -14.0000
2 31.5700 -14.0000 31.5700 -21.3500
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 50
REPEAT 2
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