ATOM 55
1 C1b C 10.9200 -21.0000
2 S4a S 9.5200 -21.0000
3 O1d O 8.1200 -21.0000
4 O1d O 9.5200 -22.4000
5 O1d O 9.5200 -19.6000
6 C5a C 12.1800 -20.3000
7 S2a S 13.3700 -21.0000
8 C1b C 14.5600 -20.3000
9 C1b C 15.8200 -21.0000
10 N1b N 17.0100 -20.3000
11 C5a C 18.2000 -21.0000
12 C1b C 19.4600 -20.3000
13 C1b C 20.6500 -21.0000
14 N1b N 21.8400 -20.3000
15 C5a C 23.1000 -21.0000
16 C1c C 24.2900 -20.3000
17 C1d C 25.4800 -21.0000
18 C1b C 26.6700 -20.3000
19 O2b O 27.9300 -21.0000
20 O5a O 12.1800 -18.9000
21 O5a O 18.2000 -22.4000
22 O5a O 23.1000 -22.4000
23 O1a O 24.2900 -18.9000
24 C1a C 25.4800 -19.6000
25 C1a C 25.4800 -22.4000
26 P1b P 29.3300 -21.0000
27 O1c O 30.7300 -21.0000
28 O1c O 29.3300 -22.4000
29 C1y C 22.8200 -16.0300
30 C1y C 24.2200 -16.0300
31 C1y C 24.6400 -14.7000
32 O2x O 23.5200 -13.8600
33 C1y C 22.4000 -14.7000
34 C1b C 25.9700 -14.2800
35 O1a O 21.9800 -17.1500
36 O2b O 25.0600 -17.1500
37 P1b P 26.4600 -17.1500
38 O1c O 26.4600 -15.7500
39 O1c O 27.8600 -17.1500
40 O1c O 26.4600 -18.5500
41 C8y C 18.2700 -12.8800
42 C8y C 18.2700 -14.2800
43 N4y N 20.7200 -14.2800
44 C8x C 20.7200 -12.8800
45 N5x N 19.4600 -12.1800
46 C8y C 17.0800 -12.1800
47 N5x N 15.8200 -12.8800
48 C8x C 15.8200 -14.2800
49 N5x N 17.0800 -14.9800
50 N1a N 17.0800 -10.7800
51 O2b O 27.9300 -14.7000
52 P1b P 29.3300 -14.7000
53 O1c O 29.3300 -13.3000
54 O1c O 30.7300 -14.7000
55 O2c O 29.3300 -17.9200
BOND 57
1 1 2 1
2 2 3 2
3 2 4 2
4 2 5 1
5 1 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 6 20 2
20 11 21 2
21 15 22 2
22 16 23 1 #Down
23 17 24 1
24 17 25 1
25 19 26 1
26 26 27 2
27 26 28 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 29 33 1
33 31 34 1 #Down
34 29 35 1 #Up
35 30 36 1 #Up
36 36 37 1
37 37 38 1
38 37 39 1
39 37 40 2
40 41 42 2
41 42 43 1
42 43 44 1
43 44 45 2
44 41 45 1
45 41 46 1
46 46 47 2
47 47 48 1
48 48 49 2
49 42 49 1
50 46 50 1
51 33 43 1 #Down
52 34 51 1
53 51 52 1
54 52 53 1
55 52 54 2
56 52 55 1
57 26 55 1
|