ATOM 42
1 C1b C 24.0100 -7.7000
2 C1b C 25.2000 -8.4000
3 C1b C 22.7500 -8.4000
4 C1b C 26.3900 -7.7000
5 C1b C 21.5600 -7.7000
6 C1b C 27.6500 -8.4000
7 C1b C 20.3000 -8.4000
8 C1b C 28.8400 -7.7000
9 C1b C 19.1100 -7.7000
10 C1b C 30.0300 -8.4000
11 C1b C 17.9200 -8.4000
12 C1b C 31.2900 -7.7000
13 C7a C 16.6600 -7.7000
14 C1b C 32.4800 -8.4000
15 C1b C 33.6700 -7.7000
16 C1b C 34.9300 -8.4000
17 C1b C 36.1200 -7.7000
18 C1a C 37.3800 -8.4000
19 O6a O 16.6600 -6.3000
20 N4y N 6.5100 -9.5200
21 C8y C 5.4600 -8.8200
22 C1y C 7.8400 -9.1000
23 C8x C 6.0200 -10.9200
24 C8y C 4.2000 -9.7300
25 N5x N 5.3200 -7.3500
26 O2x O 8.9600 -10.0100
27 C1y C 8.2600 -7.8400
28 N5x N 4.6200 -10.9200
29 C8y C 2.9400 -9.1700
30 C8x C 3.9900 -6.7900
31 C1y C 10.0800 -9.1700
32 C1y C 9.6600 -7.8400
33 O1a O 7.5600 -6.7200
34 N5x N 2.8000 -7.7000
35 N1a N 1.8900 -10.0100
36 C1b C 11.4100 -9.5900
37 O1a O 10.0800 -6.5800
38 O2b O 12.4600 -8.6800
39 P1b P 13.8600 -8.6800
40 O1c O 13.8600 -7.2800
41 O7a O 15.1900 -8.6800
42 O1c O 13.8600 -10.0800
BOND 44
1 17 18 1
2 1 2 1
3 1 3 1
4 2 4 1
5 3 5 1
6 4 6 1
7 5 7 1
8 6 8 1
9 7 9 1
10 8 10 1
11 9 11 1
12 10 12 1
13 11 13 1
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 13 19 2
19 20 21 1
20 22 20 1 #Up
21 20 23 1
22 21 24 2
23 21 25 1
24 22 26 1
25 22 27 1
26 23 28 2
27 24 29 1
28 25 30 2
29 26 31 1
30 27 32 1
31 27 33 1 #Down
32 29 34 2
33 29 35 1
34 31 36 1 #Up
35 32 37 1 #Down
36 36 38 1
37 38 39 1
38 39 40 1
39 39 41 1
40 39 42 2
41 24 28 1
42 30 34 1
43 31 32 1
44 13 41 1
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