ATOM 46
1 C1y C 10.7800 -18.0600
2 C1y C 12.1800 -18.0600
3 C1x C 12.6000 -16.7300
4 C1y C 11.4800 -15.8900
5 O2x O 10.3600 -16.7300
6 O2b O 13.1600 -19.0400
7 C1b C 9.5900 -18.7600
8 R R 10.7800 -14.7000
9 O2b O 8.1900 -18.7600
10 P1b P 6.7900 -18.7600
11 O1c O 6.7900 -20.1600
12 O1c O 6.7900 -17.3600
13 O1c O 5.3900 -18.7600
14 C1y C 19.1800 -18.3400
15 C1y C 20.5800 -18.3400
16 C1x C 21.0000 -17.0100
17 C1y C 19.8800 -16.1700
18 O2x O 18.7600 -17.0100
19 O2b O 21.3500 -19.1800
20 C1b C 17.9900 -19.0400
21 O2b O 16.5900 -19.0400
22 P1b P 15.1900 -19.0400
23 O1c O 15.1900 -20.4400
24 O1c O 15.1900 -17.6400
25 C1y C 27.8600 -18.4800
26 C1y C 29.2600 -18.4800
27 C1x C 29.6800 -17.1500
28 C1y C 28.5600 -16.3100
29 O2x O 27.4400 -17.1500
30 O1a O 30.2400 -19.4600
31 C1b C 26.6700 -19.1800
32 R R 27.8600 -15.1200
33 O2b O 25.2700 -19.1800
34 P1b P 23.8700 -19.1800
35 O1c O 23.8700 -20.5800
36 O1c O 23.8700 -17.7800
37 N4y N 19.8800 -14.7700
38 C8x C 21.0924 -14.0700
39 C8y C 21.0924 -12.6700
40 C8y C 19.8800 -11.9700
41 N5x N 18.6676 -12.6700
42 C8y C 18.6676 -14.0700
43 O5x O 17.4551 -14.7700
44 N1a N 19.8800 -10.5700
45 C1b C 22.3048 -11.9700
46 O1a O 23.5360 -12.6810
BOND 49
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
48 39 45 1
49 45 46 1
BRACKET 1 6.4400 -21.4200 6.4400 -14.0700
1 13.4400 -14.0700 13.4400 -21.4200
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12
REPEAT 1
2 23.5200 -21.8400 23.5200 -14.4900
2 30.5900 -14.4900 30.5900 -21.8400
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36
REPEAT 2
| 
