ATOM 44
1 C1y C 16.1570 -7.2035
2 C1y C 16.1220 -8.6040
3 C5x C 14.8324 -6.7426
4 C1b C 17.3532 -6.5033
5 C1y C 14.7799 -9.0125
6 C2b C 17.3356 -9.2985
7 C1x C 13.9922 -7.8687
8 O5x O 14.4122 -5.4122
9 C1b C 18.5669 -7.1978
10 C2b C 18.5378 -8.6040
11 C1b C 19.7690 -6.5033
12 C1c C 19.7514 -9.2926
13 C1b C 20.9827 -7.1978
14 C1b C 20.9593 -8.5923
15 O1a O 19.6639 -10.7164
16 C1b C 22.1964 -6.5033
17 C1b C 22.1671 -9.2926
18 C1b C 23.3983 -7.1978
19 C1b C 23.3809 -8.5923
20 C6a C 24.6120 -6.5033
21 C1b C 24.5886 -9.2926
22 O6a O 25.8141 -7.1978
23 O6a O 24.6120 -5.1029
24 C1a C 25.7965 -8.5923
25 S2a S 14.7799 -10.4125
26 C1b C 13.5675 -11.1125
27 C1c C 13.5675 -12.5125
28 N1b N 12.3676 -13.2300
29 C5a C 11.1551 -12.5300
30 C1b C 9.9427 -13.2300
31 C1b C 8.7303 -12.5300
32 C1c C 7.5178 -13.2300
33 C6a C 6.3054 -12.5300
34 O6a O 5.0930 -13.2300
35 C5a C 14.7924 -13.2300
36 N1b N 16.0049 -12.5300
37 C1b C 17.2173 -13.2300
38 C6a C 18.4297 -12.5300
39 O6a O 19.6422 -13.2300
40 N1a N 7.5178 -14.6297
41 O6a O 6.3054 -11.1300
42 O5a O 11.1551 -11.1302
43 O5a O 14.7880 -14.6299
44 O6a O 18.4297 -11.1301
BOND 44
1 18 20 1
2 19 21 1
3 20 22 1
4 20 23 2
5 21 24 1
6 5 7 1
7 1 2 1
8 1 3 1
9 1 4 1 #Down
10 2 5 1
11 2 6 1 #Up
12 3 7 1
13 3 8 2
14 4 9 1
15 6 10 2
16 9 11 1
17 10 12 1
18 11 13 1
19 12 14 1
20 12 15 1 #Down
21 13 16 1
22 14 17 1
23 16 18 1
24 17 19 1
25 5 25 1 #Either
26 25 26 1
27 27 26 1 #Up
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 27 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 32 40 1 #Down
41 33 41 2
42 29 42 2
43 35 43 2
44 38 44 2
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