ATOM 55
1 C1y C 9.8000 -18.1300
2 C1y C 11.2000 -18.1300
3 C1y C 11.6200 -16.8000
4 C1y C 10.5000 -15.9600
5 O2x O 9.3800 -16.8000
6 O2b O 12.1800 -19.1100
7 C1b C 8.6100 -18.8300
8 R R 9.8000 -14.7700
9 O2b O 7.2100 -18.8300
10 P1b P 5.8100 -18.8300
11 O1c O 5.8100 -20.2300
12 O1c O 5.8100 -17.4300
13 O1c O 4.4100 -18.8300
14 C1y C 19.1100 -18.4100
15 C1y C 20.5100 -18.4100
16 C1y C 20.9300 -17.0800
17 C1y C 19.8100 -16.2400
18 O2x O 18.6900 -17.0800
19 O2b O 21.2800 -19.2500
20 C1b C 17.9200 -19.1100
21 O2b O 16.5200 -19.1100
22 P1b P 15.1200 -19.1100
23 O1c O 15.1200 -20.5100
24 O1c O 15.1200 -17.7100
25 C1y C 27.7900 -18.5500
26 C1y C 29.1900 -18.5500
27 C1y C 29.6100 -17.2200
28 C1y C 28.4900 -16.3800
29 O2x O 27.3700 -17.2200
30 O1a O 30.1700 -19.5300
31 C1b C 26.6000 -19.2500
32 R R 27.7900 -15.1900
33 O2b O 25.2000 -19.2500
34 P1b P 23.8000 -19.2500
35 O1c O 23.8000 -20.6500
36 O1c O 23.8000 -17.8500
37 O1a O 12.6099 -15.8101
38 O1a O 21.9199 -16.0901
39 O1a O 30.5999 -16.2301
40 C8x C 17.1378 -13.4134
41 C8x C 17.8004 -14.7166
42 N4y N 19.1997 -14.6894
43 C8y C 19.9365 -13.4989
44 N5x N 19.2738 -12.2656
45 C8y C 17.8744 -12.2229
46 N2a N 17.2118 -10.9897
47 N1b N 21.3500 -13.5117
48 C1b C 22.0514 -12.3001
49 C1b C 23.4514 -12.3017
50 C1b C 24.1529 -11.0902
51 C1b C 25.5529 -11.0918
52 N1b N 26.2543 -9.8802
53 C2c C 27.6543 -9.8819
54 N1a N 28.3599 -8.6633
55 N2a N 28.3467 -11.0844
BOND 58
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 2
46 44 45 1
47 40 45 1
48 45 46 2
49 17 42 1 #Up
50 43 47 1
51 47 48 1
52 48 49 1
53 49 50 1
54 50 51 1
55 51 52 1
56 52 53 1
57 53 54 1
58 53 55 2
BRACKET 1 5.4600 -21.4900 5.4600 -14.1400
1 13.5800 -14.1400 13.5800 -21.4900
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 38
REPEAT 1
2 23.4500 -21.9100 23.4500 -14.5600
2 31.5700 -14.5600 31.5700 -21.9100
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 40
REPEAT 2
| 
