ATOM 47
1 C1y C 0.2759 0.8034
2 C1y C 0.0586 1.4655
3 C1y C 0.9828 0.8034
4 O2b O -0.1483 0.2103
5 O2x O 0.6172 1.8655
6 C1b C -0.6345 1.6862
7 C1y C 1.1828 1.4517
8 O1a O 1.3966 0.2414
9 P1b P -0.1517 -0.5172
10 O2b O -0.7862 2.6793
11 R R 1.8483 1.6621
12 O2b O 0.5759 -0.5172
13 O1c O -0.1552 -1.2448
14 O1c O -0.8828 -0.5138
15 P1b P -1.4690 2.6759
16 C1b C 0.7241 -1.5069
17 O2b O -1.4621 3.3586
18 O1c O -1.4724 1.9897
19 O1c O -2.1517 2.6793
20 C1y C 1.4172 -1.7345
21 C1y C -1.0621 3.9138
22 C1y C 1.6310 -2.3931
23 O2x O 1.9759 -1.3310
24 C1y C -1.2759 4.5655
25 C1y C -0.3552 3.9138
26 C1y C 2.3379 -2.3931
27 O7a O 1.2034 -2.9828
28 C1y C 2.5379 -1.7414
29 O2x O -0.7207 4.9690
30 C1b C -1.9276 4.7724
31 C1y C -0.1517 4.5552
32 O1a O 0.0586 3.3517
33 O1a O 2.7552 -2.9552
34 C7a C 0.5069 -2.9069
35 R R 3.2345 -1.5138
36 O1a O -2.4345 4.3103
37 R R 0.5138 4.7586
38 C1c C 0.0931 -3.4690
39 O6a O 0.2241 -2.2655
40 C1b C -0.6000 -3.3931
41 N1a N 0.3759 -4.1103
42 C8y C -1.0138 -3.9586
43 C8x C -1.7069 -3.8793
44 C8x C -0.7276 -4.5966
45 C8x C -2.1172 -4.4448
46 C8x C -1.1414 -5.1586
47 C8x C -1.8345 -5.0828
BOND 50
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 6 10 1
10 7 11 1 #Up
11 9 12 1
12 9 13 1
13 9 14 2
14 10 15 1
15 12 16 1
16 15 17 1
17 15 18 1
18 15 19 2
19 20 16 1 #Up
20 21 17 1 #Down
21 20 22 1
22 20 23 1
23 21 24 1
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 24 29 1
29 24 30 1 #Up
30 25 31 1
31 25 32 1 #Down
32 26 33 1 #Down
33 27 34 1
34 28 35 1 #Up
35 30 36 1
36 31 37 1 #Up
37 34 38 1
38 34 39 2
39 38 40 1
40 38 41 1 #Up
41 40 42 1
42 42 43 2
43 42 44 1
44 43 45 1
45 44 46 2
46 45 47 2
47 5 7 1
48 26 28 1
49 29 31 1
50 46 47 1
BRACKET 1 -1.0793 2.0793 -0.3483 2.0793
1 1.0000 -1.1000 0.2517 -1.1000
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 11 12 13 14
REPEAT 1
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