ATOM 46
1 C8y C 32.2424 -22.0592
2 C8y C 31.0269 -22.7424
3 C8y C 32.2673 -20.6597
4 C8y C 33.4480 -22.7667
5 C8y C 31.0229 -24.1431
6 C5x C 29.8285 -22.0241
7 C2x C 31.0667 -19.9493
8 C8x C 33.4877 -19.9737
9 C8y C 34.6686 -22.0806
10 C8x C 33.4392 -24.1705
11 C8y C 29.7974 -24.8322
12 C8x C 32.2215 -24.8616
13 C2y C 29.8485 -20.6273
14 O5x O 28.6050 -22.7050
15 C8y C 34.6833 -20.6871
16 O1a O 35.8699 -22.8039
17 C8x C 29.8533 -26.2389
18 C8x C 28.5918 -24.1247
19 O2a O 28.6500 -19.9155
20 O2a O 35.9068 -20.0060
21 C8x C 28.5658 -26.9299
22 C8x C 27.3662 -24.8137
23 C1y C 27.4443 -19.2114
24 C1a C 37.1153 -20.7185
25 C8x C 27.3543 -26.2123
26 O2x O 27.4572 -17.8077
27 C1y C 26.2298 -19.9079
28 C1y C 26.2506 -17.0975
29 C1y C 25.0880 -19.1948
30 O1a O 26.2119 -21.3086
31 C1y C 25.0260 -17.7881
32 C1b C 26.2527 -15.7010
33 O1a O 23.7935 -19.8853
34 O2a O 23.8165 -17.0830
35 C1y C 22.5973 -16.3968
36 O2x O 22.5888 -15.0040
37 C1y C 21.3894 -17.0943
38 C1y C 21.3781 -14.3055
39 C1y C 20.1732 -16.4056
40 O1a O 21.3955 -18.5022
41 C1y C 20.1730 -15.0079
42 C1b C 21.3716 -12.9045
43 O1a O 18.9589 -17.1136
44 O1a O 18.9580 -14.3050
45 O1a O 20.1578 -12.2009
46 O1a O 25.0449 -15.0013
BOND 51
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 2
14 8 15 1
15 9 16 1
16 11 17 1
17 11 18 2
18 13 19 1
19 15 20 1
20 17 21 2
21 18 22 1
22 23 19 1 #Up
23 20 24 1
24 21 25 1
25 23 26 1
26 23 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 28 32 1 #Up
32 29 33 1 #Up
33 31 34 1 #Down
34 35 34 1 #Up
35 35 36 1
36 35 37 1
37 36 38 1
38 37 39 1
39 37 40 1 #Down
40 38 41 1
41 38 42 1 #Up
42 39 43 1 #Up
43 41 44 1 #Down
44 42 45 1
45 7 13 2
46 9 15 2
47 10 12 2
48 22 25 2
49 29 31 1
50 39 41 1
51 32 46 1
| 
