ATOM 63
1 C8x C 26.8133 -23.7327
2 C8y C 25.6232 -24.4327
3 C8x C 25.6232 -25.7628
4 C8y C 26.8133 -26.4629
5 C8y C 27.9334 -25.7628
6 C8y C 27.9334 -24.4327
7 C1y C 29.1235 -26.4629
8 C1y C 30.3136 -25.7628
9 C1z C 30.3136 -24.4327
10 O2x O 29.1235 -23.7327
11 C8y C 31.5037 -23.7327
12 O1a O 31.5037 -26.4629
13 C8x C 32.6238 -24.4327
14 C8y C 33.8839 -23.7327
15 O1a O 26.8133 -27.7930
16 O1a O 35.0040 -24.4327
17 C8y C 33.8839 -22.4025
18 C8x C 32.6238 -21.7025
19 C8x C 31.5037 -22.4025
20 O1a O 35.0040 -21.7025
21 O1a O 24.3631 -23.8027
22 C8y C 32.0600 -28.1400
23 C8y C 32.0600 -29.5400
24 C8y C 33.2724 -30.2400
25 C8y C 34.4849 -29.5400
26 C8x C 34.4849 -28.1400
27 C8y C 33.2724 -27.4400
28 O2x O 30.8476 -30.2400
29 C1y C 30.8476 -31.6400
30 C1y C 32.0600 -32.3400
31 C1y C 33.2724 -31.6400
32 O1a O 32.0600 -33.7400
33 C8y C 29.6521 -32.3304
34 C8x C 28.4647 -31.6449
35 C8x C 27.2523 -32.3450
36 C8y C 27.2524 -33.7450
37 C8y C 28.4397 -34.4304
38 C8x C 29.6521 -33.7304
39 O1a O 26.0255 -34.4536
40 O1a O 28.4399 -35.8399
41 O2x O 33.2724 -26.0402
42 C8y C 34.9579 -32.8204
43 C8y C 34.9580 -34.2297
44 C8x C 36.1704 -34.9297
45 C8y C 37.3828 -34.2297
46 C8y C 37.3828 -32.8203
47 C8y C 36.1703 -32.1204
48 C1x C 38.5952 -32.1202
49 C1y C 38.5951 -30.7202
50 C1y C 37.3826 -30.0203
51 O2x O 36.1702 -30.7204
52 O1a O 33.7246 -34.9421
53 O1a O 38.5933 -34.9286
54 C8y C 37.3824 -28.6300
55 O1a O 39.7844 -30.0333
56 C8x C 38.5930 -27.9309
57 C8y C 38.5928 -26.5309
58 C8y C 37.3803 -25.8311
59 C8x C 36.1698 -26.5301
60 C8x C 36.1699 -27.9301
61 O1a O 37.3802 -24.4300
62 O1a O 39.7884 -25.8403
63 O1a O 35.3660 -30.1810
BOND 72
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 6 10 1
12 9 11 1 #Down
13 8 12 1 #Down
14 11 13 2
15 13 14 1
16 14 17 2
17 17 18 1
18 18 19 2
19 11 19 1
20 4 15 1
21 17 20 1
22 14 16 1
23 2 21 1
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 22 27 2
30 23 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 24 31 1
35 30 32 1 #Up
36 29 33 1 #Up
37 33 34 2
38 34 35 1
39 35 36 2
40 36 37 1
41 37 38 2
42 33 38 1
43 36 39 1
44 37 40 1
45 7 22 1 #Up
46 27 41 1
47 9 41 1 #Up
48 31 42 1 #Down
49 42 43 2
50 43 44 1
51 44 45 2
52 45 46 1
53 46 47 2
54 42 47 1
55 46 48 1
56 48 49 1
57 49 50 1
58 50 51 1
59 47 51 1
60 43 52 1
61 45 53 1
62 50 54 1 #Down
63 49 55 1 #Down
64 54 56 2
65 56 57 1
66 57 58 2
67 58 59 1
68 59 60 2
69 54 60 1
70 58 61 1
71 57 62 1
72 25 63 1
|