ATOM 42
1 C1y C 26.8919 -18.5457
2 N4y N 28.2990 -16.5780
3 O2x O 25.8284 -17.6796
4 C1y C 26.3951 -19.8256
5 C8y C 27.0955 -15.8965
6 C8x C 29.4900 -15.8775
7 C1y C 24.6758 -18.4247
8 C1y C 25.0259 -19.7491
9 O1a O 27.0765 -21.0164
10 N4x N 27.0828 -14.5084
11 O5x O 25.8920 -16.5780
12 C8x C 29.4835 -14.4957
13 C1b C 23.3512 -18.0681
14 O1a O 24.3255 -20.9401
15 C8y C 28.2800 -13.8079
16 O2b O 22.9946 -16.7372
17 O5x O 28.2673 -12.4197
18 P1b P 21.6127 -16.7372
19 O2c O 20.2245 -16.7372
20 O1c O 21.6064 -15.3553
21 O1c O 21.6064 -18.1253
22 P1b P 18.8426 -16.7372
23 O2b O 17.4545 -16.7372
24 O1c O 18.8363 -15.3553
25 O1c O 18.8363 -18.1253
26 C1y C 16.2700 -17.4377
27 C1y C 16.2700 -18.8258
28 O2x O 15.0729 -16.7437
29 C1y C 15.0729 -19.5137
30 N1a N 17.4545 -19.5137
31 C1y C 13.8692 -17.4377
32 C1y C 13.8692 -18.8258
33 O7a O 15.0537 -20.9018
34 C1b C 12.6722 -16.7437
35 O1a O 12.6722 -19.5073
36 C7a C 15.0475 -22.2838
37 C1b C 16.2382 -22.9715
38 O6a O 13.8502 -22.9715
39 C1c C 17.4355 -22.2773
40 R R 18.6261 -22.9651
41 O1a O 17.4227 -20.8954
42 O1a O 11.4646 -17.4432
BOND 44
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Down
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 31 34 1 #Up
34 32 35 1 #Down
35 33 36 1
36 36 37 1
37 36 38 2
38 37 39 1
39 39 40 1
40 39 41 1 #Down
41 7 8 1
42 12 15 1
43 31 32 1
44 34 42 1
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