ATOM 52
1 C1y C 17.8773 -19.2449
2 C1y C 17.8425 -20.6462
3 O2x O 16.6479 -18.5748
4 O2a O 19.1441 -21.3243
5 C1y C 16.7081 -21.3717
6 C1x C 15.4543 -19.2928
7 C1y C 19.1610 -22.7222
8 C1y C 15.4817 -20.6963
9 O1a O 16.7406 -22.7780
10 C1y C 20.4628 -23.4003
11 O2x O 17.9621 -23.4503
12 O1a O 14.2824 -21.4244
13 C1y C 20.4224 -24.8117
14 O1a O 21.5992 -22.6828
15 C1y C 17.9841 -24.8511
16 C1y C 19.2128 -25.5343
17 O1a O 21.6459 -25.4920
18 C1a C 16.7848 -25.5793
19 O1a O 19.1702 -26.9378
20 C1z C 25.1643 -16.4601
21 C1z C 26.3778 -15.7717
22 C1y C 23.9567 -15.7541
23 C1x C 25.1643 -17.8602
24 C1a C 25.7826 -15.1240
25 C2y C 26.3952 -14.3773
26 C1x C 27.5678 -16.4775
27 C1a C 26.3602 -17.1659
28 C1z C 22.7374 -16.4484
29 C1x C 23.9684 -14.3540
30 C1x C 23.9450 -18.5603
31 C1y C 27.6028 -13.6890
32 C2x C 25.1877 -13.6599
33 C1x C 28.7871 -15.8008
34 C1y C 22.7317 -17.8485
35 C1x C 21.5241 -15.7484
36 C1a C 22.7258 -15.0424
37 C1z C 28.8047 -14.4066
38 C1x C 27.5504 -12.2948
39 C1z C 21.5241 -18.5543
40 C1x C 20.3108 -16.4484
41 C1x C 30.0180 -13.7240
42 C6a C 30.0063 -15.1007
43 C1z C 28.8395 -11.6180
44 C1y C 20.3108 -17.8485
45 C1a C 20.8183 -19.7678
46 C1a C 22.0899 -19.9078
47 C1x C 30.0414 -12.3298
48 O6a O 31.2197 -14.3949
49 O6a O 30.0004 -16.5009
50 C1a C 29.5338 -10.3988
51 C1a C 28.1337 -10.3988
52 O2a O 19.0915 -18.5543
BOND 58
1 13 16 1
2 13 17 1 #Down
3 15 18 1 #Down
4 16 19 1 #Up
5 6 8 1
6 15 16 1
7 1 2 1
8 1 3 1
9 2 4 1 #Down
10 2 5 1
11 3 6 1
12 7 4 1 #Up
13 5 8 1
14 5 9 1 #Up
15 7 10 1
16 7 11 1
17 8 12 1 #Up
18 10 13 1
19 10 14 1 #Down
20 11 15 1
21 20 21 1
22 20 22 1
23 20 23 1
24 20 24 1 #Up
25 21 25 1
26 21 26 1
27 21 27 1 #Down
28 22 28 1
29 22 29 1
30 23 30 1
31 25 31 1
32 25 32 2
33 26 33 1
34 28 34 1
35 28 35 1
36 28 36 1 #Up
37 31 37 1
38 31 38 1
39 34 39 1
40 35 40 1
41 37 41 1
42 37 42 1 #Up
43 38 43 1
44 39 44 1
45 39 45 1
46 39 46 1
47 41 47 1
48 42 48 1
49 42 49 2
50 43 50 1
51 43 51 1
52 44 52 1 #Up
53 29 32 1
54 30 34 1
55 33 37 1
56 40 44 1
57 43 47 1
58 1 52 1 #Up
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