ATOM 42
1 C1y C 29.6535 -22.5196
2 C1y C 28.4482 -23.1871
3 O2x O 28.4242 -24.5687
4 C1y C 29.6020 -25.2768
5 C1y C 30.8842 -24.6093
6 C1y C 30.8415 -23.2338
7 O7a O 26.5925 -21.7724
8 O1a O 29.6797 -21.4206
9 O1a O 32.0477 -22.5678
10 O1a O 31.9935 -25.3217
11 C1b C 29.5846 -26.6559
12 O1a O 30.7649 -27.3666
13 C8y C 19.4299 -20.3741
14 C8y C 19.4299 -21.7535
15 C8x C 20.6255 -22.4431
16 C8x C 20.6255 -19.6845
17 C8y C 21.8210 -20.3741
18 C8y C 21.8151 -21.7535
19 C8y C 23.0047 -22.4484
20 C8y C 24.2003 -21.7638
21 C8y C 24.2064 -20.3844
22 C8x C 23.0167 -19.6897
23 C8y C 22.9988 -23.8276
24 C8x C 21.8075 -24.5086
25 C8x C 21.8016 -25.8879
26 C8x C 24.1929 -24.5189
27 C8y C 24.1870 -25.8982
28 C8y C 22.9859 -26.5821
29 O2x O 23.2677 -27.9370
30 C1x C 24.6425 -28.0920
31 O2x O 25.2124 -26.8332
32 O2a O 18.2376 -19.6838
33 O2a O 18.2376 -22.4438
34 C1a C 17.0445 -20.3729
35 C1a C 17.0445 -21.7547
36 C1b C 25.4090 -19.7000
37 O7a O 26.5987 -20.3947
38 C7a C 25.3972 -22.4587
39 O6a O 25.3911 -23.8379
40 C7a C 27.7944 -19.7103
41 C1a C 28.9840 -20.4050
42 O6a O 27.8003 -18.3309
BOND 46
1 19 20 2
2 20 21 1
3 21 22 2
4 22 17 1
5 4 11 1 #Up
6 19 23 1
7 5 6 1
8 11 12 1
9 6 1 1
10 23 24 1
11 24 25 2
12 25 28 1
13 27 26 1
14 26 23 2
15 2 7 1 #Up
16 1 2 1
17 13 14 1
18 14 15 2
19 27 28 2
20 28 29 1
21 29 30 1
22 30 31 1
23 31 27 1
24 15 18 1
25 13 32 1
26 17 16 1
27 14 33 1
28 16 13 2
29 32 34 1
30 1 8 1 #Down
31 33 35 1
32 2 3 1
33 21 36 1
34 6 9 1 #Up
35 36 37 1
36 3 4 1
37 20 38 1
38 38 7 1
39 5 10 1 #Down
40 38 39 2
41 4 5 1
42 37 40 1
43 17 18 2
44 40 41 1
45 18 19 1
46 40 42 2
|