ATOM 50
1 C1y C 9.8000 -19.3200
2 C1y C 11.2000 -19.3200
3 C1y C 11.6200 -17.9900
4 C1y C 10.5000 -17.1500
5 O2x O 9.3800 -17.9900
6 O2b O 12.1800 -20.3000
7 C1b C 8.6100 -20.0200
8 R R 9.8000 -15.9600
9 O2b O 7.2100 -20.0200
10 P1b P 5.8100 -20.0200
11 O1c O 5.8100 -21.4200
12 O1c O 5.8100 -18.6200
13 O1c O 4.4100 -20.0200
14 C1y C 19.1100 -19.6000
15 C1y C 20.5100 -19.6000
16 C1y C 20.9300 -18.2700
17 C1y C 19.8100 -17.4300
18 O2x O 18.6900 -18.2700
19 O2b O 21.2800 -20.4400
20 C1b C 17.9200 -20.3000
21 O2b O 16.5200 -20.3000
22 P1b P 15.1200 -20.3000
23 O1c O 15.1200 -21.7000
24 O1c O 15.1200 -18.9000
25 C1y C 27.7900 -19.7400
26 C1y C 29.1900 -19.7400
27 C1y C 29.6100 -18.4100
28 C1y C 28.4900 -17.5700
29 O2x O 27.3700 -18.4100
30 O1a O 30.1700 -20.7200
31 C1b C 26.6000 -20.4400
32 R R 27.7900 -16.3800
33 O2b O 25.2000 -20.4400
34 P1b P 23.8000 -20.4400
35 O1c O 23.8000 -21.8400
36 O1c O 23.8000 -19.0400
37 O1a O 12.6000 -17.0100
38 O1a O 21.9100 -17.2900
39 O1a O 30.5900 -17.4300
40 C8y C 17.9900 -13.8600
41 C8x C 17.9900 -15.2600
42 N4y N 19.1800 -15.9600
43 C8y C 20.4400 -15.2600
44 N4x N 20.4400 -13.8600
45 C8y C 19.1800 -13.1600
46 Z Se 21.6300 -15.9600
47 O5x O 19.1800 -11.7600
48 C1b C 16.8000 -13.1600
49 N1b N 15.6100 -13.8600
50 C1a C 14.4200 -13.1600
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 3 37 1 #Down
40 16 38 1 #Down
41 27 39 1 #Down
42 40 41 2
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 40 45 1
48 43 46 2
49 45 47 2
50 17 42 1 #Up
51 40 48 1
52 48 49 1
53 49 50 1
BRACKET 1 5.4600 -22.6800 5.4600 -15.3300
1 13.5800 -15.3300 13.5800 -22.6800
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 38
REPEAT 1
2 23.4500 -23.0300 23.4500 -15.7500
2 31.5000 -15.7500 31.5000 -23.0300
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 40
REPEAT 2
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