ATOM 49
1 C1y C 12.1800 -19.0400
2 C1y C 13.5800 -19.0400
3 C1y C 14.0000 -17.7100
4 C1y C 12.8800 -16.8700
5 O2x O 11.7600 -17.7100
6 O2b O 14.5600 -20.0200
7 C1b C 10.9900 -19.7400
8 R R 12.1800 -15.6800
9 O2b O 9.5900 -19.7400
10 P1b P 8.1900 -19.7400
11 O1c O 8.1900 -21.1400
12 O1c O 8.1900 -18.3400
13 O1c O 6.7900 -19.7400
14 C1y C 21.4900 -19.3200
15 C1y C 22.8900 -19.3200
16 C1y C 23.3100 -17.9900
17 C1y C 22.1900 -17.1500
18 O2x O 21.0700 -17.9900
19 O2b O 23.6600 -20.1600
20 C1b C 20.3000 -20.0200
21 O2b O 18.9000 -20.0200
22 P1b P 17.5000 -20.0200
23 O1c O 17.5000 -21.4200
24 O1c O 17.5000 -18.6200
25 C1y C 30.1700 -19.4600
26 C1y C 31.5700 -19.4600
27 C1y C 31.9900 -18.1300
28 C1y C 30.8700 -17.2900
29 O2x O 29.7500 -18.1300
30 O1a O 32.5500 -20.4400
31 C1b C 28.9800 -20.1600
32 R R 30.1700 -16.1000
33 O2b O 27.5800 -20.1600
34 P1b P 26.1800 -20.1600
35 O1c O 26.1800 -21.5600
36 O1c O 26.1800 -18.7600
37 C8y C 21.7700 -14.0000
38 C8y C 21.7700 -15.4000
39 N5x N 20.5800 -16.1000
40 C8x C 19.3200 -15.4000
41 N4x N 19.3200 -14.0000
42 C8y C 20.5800 -13.3000
43 N4y N 23.1000 -15.8200
44 C8x C 23.9400 -14.7000
45 N5x N 23.1000 -13.5800
46 O5x O 20.5800 -11.9000
47 O1a O 14.9800 -16.7300
48 O1a O 24.2900 -17.0100
49 O1a O 32.9700 -17.1500
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 1
44 37 42 1
45 38 43 1
46 43 44 1
47 44 45 2
48 37 45 1
49 42 46 2
50 17 43 1 #Up
51 3 47 1 #Down
52 16 48 1 #Down
53 27 49 1 #Down
BRACKET 1 7.8400 -21.4900 7.8400 -14.1400
1 15.9600 -14.1400 15.9600 -21.4900
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 48
REPEAT 1
2 25.8300 -21.9100 25.8300 -14.5600
2 33.9500 -14.5600 33.9500 -21.9100
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 50
REPEAT 2
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