ATOM 45
1 C1y C 14.4774 -20.6961
2 C1y C 14.4774 -22.0946
3 C1y C 15.6885 -22.7938
4 C1y C 16.8996 -22.0946
5 C1y C 16.8996 -20.6961
6 O2x O 15.6885 -19.9969
7 O1a O 18.1294 -22.8048
8 O1a O 13.2663 -22.7938
9 O1a O 15.6885 -24.1921
10 C6a C 13.2663 -19.9969
11 O6a O 12.0721 -20.6865
12 O6a O 13.2662 -18.5986
13 C1z C 23.6433 -17.2446
14 C1z C 24.8514 -16.5593
15 C1y C 22.4411 -16.5420
16 C1x C 23.6433 -18.6386
17 C1a C 24.2524 -15.8450
18 C2y C 24.8630 -15.1714
19 C1x C 26.0421 -17.2621
20 C1a C 24.9038 -17.9475
21 C1z C 21.2273 -17.2330
22 C1x C 22.4526 -15.1537
23 C1x C 22.4296 -19.3356
24 C1y C 26.0769 -14.4860
25 C2x C 23.6665 -14.4627
26 C1x C 27.3255 -16.5884
27 C1y C 21.2215 -18.6328
28 C1x C 20.0192 -16.5360
29 C1a C 21.2157 -15.8390
30 C1z C 27.2675 -15.2002
31 C1x C 26.0942 -13.0977
32 C1z C 20.0192 -19.3298
33 C1x C 18.8112 -17.2330
34 C1y C 28.4755 -14.5208
35 C1a C 28.4638 -15.8915
36 C1z C 27.3081 -12.4240
37 C1y C 18.8112 -18.6328
38 C1b C 20.5185 -20.6773
39 C1a C 19.3106 -20.5378
40 C1x C 28.4930 -13.1327
41 O1a O 29.6777 -15.0322
42 C1a C 27.9934 -11.2104
43 C1a C 26.5995 -11.2104
44 O2a O 17.6030 -19.3356
45 O1a O 21.8488 -21.3756
BOND 50
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 4 7 1 #Down
8 2 8 1 #Down
9 3 9 1 #Up
10 1 10 1 #Up
11 10 11 1
12 10 12 2
13 13 14 1
14 13 15 1
15 13 16 1
16 13 17 1 #Up
17 14 18 1
18 14 19 1
19 14 20 1 #Down
20 15 21 1
21 15 22 1
22 16 23 1
23 18 24 1
24 18 25 2
25 19 26 1
26 21 27 1
27 21 28 1
28 21 29 1 #Up
29 24 30 1
30 24 31 1
31 27 32 1
32 28 33 1
33 30 34 1
34 30 35 1 #Up
35 31 36 1
36 32 37 1
37 32 38 1 #Up
38 32 39 1 #Down
39 34 40 1
40 34 41 1 #Up
41 36 42 1
42 36 43 1
43 37 44 1 #Up
44 22 25 1
45 23 27 1
46 26 30 1
47 33 37 1
48 36 40 1
49 38 45 1
50 5 44 1 #Up
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