ATOM 41
1 C1x C 25.6758 -20.6694
2 C1y C 25.6758 -22.0492
3 C1x C 26.8707 -22.7391
4 C1y C 28.0657 -22.0492
5 C1z C 28.0657 -20.6694
6 C1x C 26.8707 -19.9795
7 C1x C 29.2606 -22.7391
8 C1x C 30.4555 -22.0492
9 C1y C 30.4555 -20.6694
10 C1y C 29.2606 -19.9795
11 C1z C 31.6505 -19.9795
12 C1z C 31.6505 -18.5997
13 C1x C 30.4555 -17.9098
14 C1x C 29.2606 -18.5997
15 C1x C 34.0403 -19.9795
16 C1y C 34.0403 -18.5997
17 C1y C 32.8454 -17.9098
18 C2y C 32.8454 -16.5300
19 C1x C 33.9652 -15.7164
20 O7x O 33.5375 -14.4001
21 C7x C 32.1534 -14.4001
22 C2x C 31.7256 -15.7164
23 O6a O 31.3408 -13.2817
24 O7a O 35.2226 -17.9170
25 C1a C 31.6505 -17.2199
26 O1a O 31.6505 -21.3593
27 C1a C 28.0657 -19.2898
28 O2a O 24.4809 -22.7391
29 C1y C 23.3026 -22.0587
30 O2x O 23.3025 -20.6697
31 C1y C 22.1076 -19.9798
32 C1y C 20.9127 -20.6697
33 C1y C 20.9127 -22.0588
34 C1x C 22.1076 -22.7486
35 O1a O 19.7197 -19.9810
36 O2a O 19.7240 -22.7450
37 C1a C 22.1076 -18.5998
38 C1a C 18.5406 -22.0616
39 C7a C 36.3948 -18.5938
40 C1a C 37.5997 -17.8984
41 O6a O 36.3945 -20.0200
BOND 46
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
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 2
27 21 23 2
28 16 24 1 #Up
29 12 25 1 #Up
30 11 26 1 #Up
31 5 27 1 #Up
32 2 28 1 #Up
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 29 34 1
40 32 35 1 #Up
41 33 36 1 #Down
42 31 37 1 #Down
43 36 38 1
44 24 39 1
45 39 40 1
46 39 41 2
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