ATOM 44
1 C1y C 23.1712 -16.0149
2 C1z C 24.3960 -15.3451
3 C1y C 25.6909 -15.9489
4 C1y C 26.0764 -17.2145
5 C1z C 22.9374 -17.4043
6 C1z C 25.2734 -18.3645
7 C1y C 23.8743 -18.4451
8 C1y C 21.9220 -15.3631
9 C1y C 20.9162 -16.3498
10 C5x C 21.5437 -17.6113
11 C1y C 26.8001 -15.1647
12 C1z C 26.8250 -13.8470
13 C1x C 25.5301 -13.1033
14 C1y C 24.4209 -13.9574
15 O5x O 20.8876 -18.8680
16 O1a O 22.2374 -18.6167
17 O1a O 23.1743 -19.6575
18 C1b C 25.9734 -19.5769
19 O2x O 26.6734 -18.3645
20 O2x O 28.6424 -15.3871
21 C1x C 21.9215 -13.9441
22 C2c C 28.3174 -13.0770
23 O2x O 25.3159 -14.3552
24 O2x O 26.8250 -12.5170
25 C1z C 26.8250 -10.8370
26 C2x C 26.8250 -9.6470
27 C2x C 25.5976 -8.9600
28 C1x C 24.3851 -9.6600
29 C1x C 23.1727 -8.9600
30 C1x C 21.9603 -9.6600
31 C1x C 20.7478 -8.9600
32 C1x C 19.5354 -9.6600
33 C1x C 18.3189 -8.9577
34 C1x C 17.1214 -9.6492
35 C1x C 17.1291 -11.0018
36 C1x C 18.0367 -11.7752
37 C1x C 18.0845 -13.1204
38 C1a C 19.5542 -16.1210
39 O1a O 27.3698 -19.5769
40 C2a C 29.5599 -13.7945
41 C1a C 28.3178 -11.6904
42 C1a C 23.2368 -13.1163
43 C1x C 20.6941 -13.2361
44 C1x C 19.5041 -13.9239
BOND 50
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 3 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 2 14 1
17 10 15 2
18 5 16 1 #Up
19 7 17 1 #Up
20 6 18 1 #Up
21 6 19 1
22 4 19 1
23 11 20 1 #Down
24 8 21 1
25 12 22 1 #Up
26 2 23 1 #Down
27 12 24 1 #Down
28 24 25 1
29 25 23 1
30 25 20 1
31 25 26 1
32 26 27 2
33 27 28 1
34 28 29 1
35 29 30 1
36 30 31 1
37 31 32 1
38 32 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 9 38 1 #Up
44 18 39 1
45 22 40 2
46 22 41 1
47 14 42 1 #Down
48 21 43 1
49 43 44 1
50 37 44 1
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