ATOM 43
1 C1y C 32.2034 -28.0888
2 C1y C 32.2034 -29.4828
3 C1y C 33.4580 -30.1798
4 C1y C 34.6429 -29.4828
5 C1y C 34.6429 -28.0888
6 O2x O 33.4580 -27.3918
7 C8y C 24.8851 -24.4645
8 C8x C 24.8851 -25.8585
9 C8y C 26.0700 -26.5554
10 C8y C 27.3245 -25.8585
11 C8y C 27.3245 -24.4645
12 C8x C 26.0700 -23.7675
13 C8y C 28.5094 -26.5554
14 C8y C 29.6943 -25.8585
15 C8y C 29.6943 -24.4645
16 O2x O 28.5094 -23.7675
17 C8y C 30.8792 -23.8372
18 C8x C 32.0640 -24.4645
19 C8x C 33.2489 -23.7675
20 C8y C 33.2489 -22.4432
21 C8x C 32.0640 -21.7462
22 C8x C 30.8792 -22.4432
23 O1a O 34.4338 -21.7462
24 O1a O 23.7002 -23.7675
25 O1a O 26.0700 -27.9494
26 O5x O 28.5094 -27.9494
27 O2a O 30.8792 -26.5554
28 O1a O 33.4580 -31.5737
29 O1a O 31.0186 -30.1798
30 O1a O 35.8278 -30.1798
31 C1b C 35.8278 -27.3918
32 O7a O 37.0126 -28.0888
33 C7a C 38.1974 -27.3918
34 C2b C 39.3823 -28.0888
35 C2b C 40.5672 -27.3918
36 O6a O 38.1974 -25.9979
37 C8y C 41.8002 -28.0908
38 C8x C 41.8108 -29.4698
39 C8x C 43.0286 -30.1605
40 C8y C 44.2356 -29.4512
41 C8x C 44.2250 -28.0721
42 C8x C 43.0072 -27.3815
43 O1a O 45.4648 -30.1481
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 20 23 1
26 7 24 1
27 9 25 1
28 13 26 2
29 14 27 1
30 1 27 1 #Down
31 3 28 1 #Down
32 2 29 1 #Up
33 4 30 1 #Up
34 5 31 1 #Down
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 2
39 33 36 2
40 35 37 1
41 37 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 37 42 1
47 40 43 1
|