ATOM 53
1 C1y C 10.2900 -20.8600
2 C1x C 11.2000 -22.4000
3 C1x C 9.3800 -22.4000
4 C5a C 11.3400 -20.1600
5 S2a S 12.5300 -20.8600
6 C1b C 13.7200 -20.1600
7 C1b C 14.9800 -20.8600
8 N1b N 16.1700 -20.1600
9 C5a C 17.3600 -20.8600
10 C1b C 18.6200 -20.1600
11 C1b C 19.8100 -20.8600
12 N1b N 21.0000 -20.1600
13 C5a C 22.2600 -20.8600
14 C1c C 23.4500 -20.1600
15 C1d C 24.6400 -20.8600
16 C1b C 25.8300 -20.1600
17 O2b O 27.0900 -20.8600
18 O5a O 11.3400 -18.7600
19 O5a O 17.3600 -22.2600
20 O5a O 22.2600 -22.2600
21 O1a O 23.4500 -18.7600
22 C1a C 24.6400 -19.4600
23 C1a C 24.6400 -22.2600
24 P1b P 28.4900 -20.8600
25 O1c O 29.8900 -20.8600
26 O1c O 28.4900 -22.2600
27 C1y C 21.9800 -15.8900
28 C1y C 23.3800 -15.8900
29 C1y C 23.8000 -14.5600
30 O2x O 22.6800 -13.7200
31 C1y C 21.5600 -14.5600
32 C1b C 25.1300 -14.1400
33 O1a O 21.1400 -17.0100
34 O2b O 24.2200 -17.0100
35 P1b P 25.6200 -17.0100
36 O1c O 25.6200 -15.6100
37 O1c O 27.0200 -17.0100
38 O1c O 25.6200 -18.4100
39 C8y C 17.4300 -12.7400
40 C8y C 17.4300 -14.1400
41 N4y N 19.8800 -14.1400
42 C8x C 19.8800 -12.7400
43 N5x N 18.6200 -12.0400
44 C8y C 16.2400 -12.0400
45 N5x N 14.9800 -12.7400
46 C8x C 14.9800 -14.1400
47 N5x N 16.2400 -14.8400
48 N1a N 16.2400 -10.6400
49 O2b O 27.0900 -14.5600
50 P1b P 28.4900 -14.5600
51 O1c O 28.4900 -13.1600
52 O1c O 29.8900 -14.5600
53 O2c O 28.4900 -17.7800
BOND 56
1 1 2 1
2 2 3 1
3 1 3 1
4 1 4 1
5 4 5 1
6 5 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 4 18 2
19 9 19 2
20 13 20 2
21 14 21 1 #Down
22 15 22 1
23 15 23 1
24 17 24 1
25 24 25 2
26 24 26 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 27 31 1
32 29 32 1 #Down
33 27 33 1 #Up
34 28 34 1 #Up
35 34 35 1
36 35 36 1
37 35 37 1
38 35 38 2
39 39 40 2
40 40 41 1
41 41 42 1
42 42 43 2
43 39 43 1
44 39 44 1
45 44 45 2
46 45 46 1
47 46 47 2
48 40 47 1
49 44 48 1
50 31 41 1 #Down
51 32 49 1
52 49 50 1
53 50 51 1
54 50 52 2
55 50 53 1
56 24 53 1
| 
