ATOM 41
1 C1z C 26.5487 -18.8126
2 C1z C 26.5544 -17.4740
3 C1y C 27.6989 -19.4837
4 O2x O 26.5344 -20.0918
5 C1y C 25.3981 -19.4780
6 C1y C 27.7106 -16.8088
7 C1y C 25.3981 -16.8030
8 C1a C 26.4727 -16.1307
9 C1y C 28.8550 -18.8243
10 O7a O 27.8393 -22.6989
11 C1z C 28.8518 -20.1093
12 C1x C 24.2420 -18.8126
13 C1a C 25.3864 -20.8153
14 C1y C 28.8610 -17.4857
15 O7a O 27.6955 -15.2059
16 C1x C 24.2420 -17.4740
17 O7a O 25.3864 -15.4657
18 C7a C 29.1766 -22.6989
19 C1a C 30.1950 -19.6893
20 C1a C 30.0080 -20.7802
21 O7a O 30.0173 -16.8030
22 C7a C 28.8518 -14.5582
23 C7a C 24.2303 -14.7933
24 C8y C 29.8371 -23.8434
25 O6a O 30.1627 -21.8794
26 C7a C 31.1746 -17.4740
27 C8y C 30.1887 -14.5394
28 O6a O 28.8459 -13.2208
29 C1a C 23.0727 -15.4657
30 O6a O 24.2243 -13.4617
31 C8x C 31.1689 -23.8491
32 C8x C 29.4923 -25.1282
33 O6a O 32.3250 -16.8030
34 C1a C 31.1689 -18.6726
35 C8x C 30.8781 -15.6867
36 C8x C 30.8458 -13.3647
37 C8x C 31.6295 -25.0229
38 O2x O 30.5961 -25.8588
39 N5x N 32.2125 -15.6694
40 C8x C 32.1850 -13.3447
41 C8x C 32.8673 -14.4990
BOND 45
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 5 12 1
12 5 13 1
13 6 14 1
14 6 15 1 #Up
15 7 16 1
16 7 17 1 #Down
17 10 18 1
18 11 19 1
19 11 20 1
20 14 21 1 #Down
21 15 22 1
22 17 23 1
23 18 24 1
24 18 25 2
25 21 26 1
26 22 27 1
27 22 28 2
28 23 29 1
29 23 30 2
30 24 31 1
31 24 32 2
32 26 33 2
33 26 34 1
34 27 35 1
35 27 36 2
36 31 37 2
37 32 38 1
38 35 39 2
39 36 40 1
40 39 41 1
41 9 11 1 #Up
42 9 14 1
43 12 16 1
44 37 38 1
45 40 41 2
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