ATOM 41
1 C2y C 44.3213 -23.9835
2 C2x C 45.4448 -23.1665
3 C7x C 44.7524 -25.3110
4 C1b C 43.1071 -23.2912
5 C1y C 46.5794 -23.9835
6 O7x O 46.1483 -25.3110
7 O6a O 43.9354 -26.4344
8 C1c C 41.9044 -23.9835
9 C1a C 47.9068 -23.5521
10 C1b C 40.6901 -23.2912
11 O1a O 41.9044 -25.3791
12 C1b C 39.4874 -23.9835
13 C1b C 38.2847 -23.2912
14 C1b C 37.0705 -23.9835
15 C1b C 35.8677 -23.2912
16 C1c C 34.6538 -23.9835
17 C1b C 33.4508 -23.2912
18 O1a O 34.6538 -25.3791
19 C1b C 32.2480 -23.9835
20 C2b C 31.0341 -23.2912
21 C2b C 29.5135 -23.2685
22 C1b C 28.3108 -23.9720
23 C1b C 27.1077 -23.2685
24 C1c C 25.8938 -23.9720
25 C1c C 24.6911 -23.2685
26 O1a O 25.8938 -25.3679
27 O1a O 24.6911 -21.8844
28 C1b C 23.4976 -23.9400
29 C1b C 22.2851 -23.2400
30 C1b C 21.0727 -23.9400
31 C1b C 19.8603 -23.2400
32 C1b C 18.6478 -23.9400
33 C1b C 17.4354 -23.2400
34 C1b C 16.2230 -23.9400
35 C1b C 15.0105 -23.2400
36 C1b C 13.7981 -23.9400
37 C1b C 12.5856 -23.2400
38 C1b C 11.3732 -23.9400
39 C1b C 10.1608 -23.2400
40 C1b C 8.9403 -23.9447
41 C1a C 7.7407 -23.2520
BOND 41
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 1 #Down
9 8 10 1
10 8 11 1 #Down
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 16 18 1 #Up
18 17 19 1
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 24 26 1 #Up
26 25 27 1 #Up
27 5 6 1
28 25 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 41 1
|