ATOM 42
1 C8y C 24.0800 -26.0400
2 C8y C 24.0800 -24.6400
3 C8x C 22.8900 -23.9400
4 C8y C 21.6300 -24.6400
5 C8x C 21.6300 -26.0400
6 C8y C 22.8900 -26.7400
7 C8y C 25.2924 -26.7400
8 C8y C 26.5049 -26.0400
9 C8y C 26.5049 -24.6400
10 O2x O 25.2924 -23.9400
11 C8y C 27.7360 -23.9290
12 O5x O 25.2924 -28.1398
13 O1a O 22.9072 -28.1399
14 O1a O 20.4234 -23.9300
15 C8x C 28.9412 -24.6247
16 C8x C 30.1535 -23.9246
17 C8y C 30.1535 -22.5246
18 C8x C 28.9483 -21.8289
19 C8x C 27.7359 -22.5290
20 O1a O 31.3714 -21.8212
21 O2a O 27.7360 -26.7510
22 C1y C 28.9484 -27.4510
23 C1y C 28.9487 -28.8396
24 C1y C 30.1613 -29.5394
25 C1y C 31.3736 -28.8392
26 C1y C 31.3733 -27.4506
27 O2x O 30.1607 -26.7508
28 C1a C 32.5801 -26.7535
29 O1a O 27.7599 -29.5266
30 O1a O 30.1615 -30.9400
31 O2a O 32.5762 -29.5334
32 C1y C 33.7887 -30.2334
33 C1y C 33.7886 -31.6398
34 C1y C 35.0010 -32.3399
35 C1y C 36.2135 -31.6400
36 C1y C 36.2136 -30.2335
37 O2x O 35.0012 -29.5334
38 C1b C 37.4055 -29.5453
39 O1a O 35.0009 -33.7400
40 O1a O 32.5922 -32.3306
41 O1a O 37.4081 -32.3301
42 O1a O 38.5964 -30.2331
BOND 46
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 1
12 9 11 1
13 7 12 2
14 6 13 1
15 4 14 1
16 11 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 11 19 1
22 17 20 1
23 8 21 1
24 22 21 1 #Down
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 26 28 1 #Up
32 23 29 1 #Up
33 24 30 1 #Up
34 25 31 1 #Down
35 32 31 1 #Down
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 32 37 1
42 36 38 1 #Down
43 34 39 1 #Down
44 33 40 1 #Up
45 35 41 1 #Up
46 38 42 1
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