ATOM 44
1 C1y C 19.3200 -23.0300
2 C1y C 20.7200 -23.0300
3 C1x C 21.1400 -21.7000
4 C1y C 20.0200 -20.8600
5 O2x O 18.9000 -21.7000
6 O2b O 21.7000 -24.0100
7 C1b C 18.1300 -23.7300
8 R R 19.3200 -19.6700
9 O2b O 16.7300 -23.7300
10 P1b P 15.3300 -23.7300
11 O1c O 15.3300 -25.1300
12 O1c O 15.3300 -22.3300
13 O1c O 13.9300 -23.7300
14 C1y C 27.7200 -23.3100
15 C1y C 29.1200 -23.3100
16 C1x C 29.5400 -21.9800
17 C1y C 28.4200 -21.1400
18 O2x O 27.3000 -21.9800
19 O2b O 29.8900 -24.1500
20 C1b C 26.5300 -24.0100
21 O2b O 25.1300 -24.0100
22 P1b P 23.7300 -24.0100
23 O1c O 23.7300 -25.4100
24 O1c O 23.7300 -22.6100
25 C1y C 36.4000 -23.4500
26 C1y C 37.8000 -23.4500
27 C1x C 38.2200 -22.1200
28 C1y C 37.1000 -21.2800
29 O2x O 35.9800 -22.1200
30 O1a O 38.7800 -24.4300
31 C1b C 35.2100 -24.1500
32 R R 36.4000 -20.0900
33 O2b O 33.8100 -24.1500
34 P1b P 32.4100 -24.1500
35 O1c O 32.4100 -25.5500
36 O1c O 32.4100 -22.7500
37 N4y N 28.4200 -19.7400
38 C8x C 29.6324 -19.0400
39 C8x C 29.6324 -17.6400
40 C8y C 28.4200 -16.9400
41 N5x N 27.2076 -17.6400
42 C8y C 27.2076 -19.0400
43 O5x O 25.9951 -19.7400
44 N1a N 28.4200 -15.5400
BOND 47
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 17 37 1 #Up
40 37 38 1
41 38 39 2
42 39 40 1
43 40 41 2
44 41 42 1
45 37 42 1
46 42 43 2
47 40 44 1
BRACKET 1 14.9800 -26.3900 14.9800 -19.0400
1 21.9800 -19.0400 21.9800 -26.3900
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12
REPEAT 1
2 32.0600 -26.8100 32.0600 -19.4600
2 39.1300 -19.4600 39.1300 -26.8100
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36
REPEAT 2
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