ATOM 41
1 O6a O 21.6300 -13.6500
2 C6a C 22.8200 -14.3500
3 C1c C 24.0100 -13.6500
4 C1b C 25.2700 -14.3500
5 C1b C 26.4600 -13.6500
6 C5a C 27.7200 -14.3500
7 N1b N 28.9100 -13.6500
8 C1c C 30.1000 -14.3500
9 C5a C 31.3600 -13.6500
10 N1b N 32.5500 -14.3500
11 C1b C 33.7400 -13.6500
12 C6a C 35.0000 -14.3500
13 O6a O 36.1900 -13.6500
14 O6a O 22.8200 -15.7500
15 O5a O 27.7200 -15.7500
16 N1a N 24.0100 -12.2500
17 C1b C 30.1000 -15.7500
18 O5a O 31.3600 -12.2500
19 O6a O 35.0000 -15.7500
20 S2a S 28.9100 -16.4500
21 Z Se 29.6100 -17.6400
22 S2a S 28.9100 -18.8300
23 C1b C 30.1700 -19.6000
24 C1c C 30.1700 -21.0000
25 C5a C 31.3600 -21.6300
26 N1b N 28.9100 -21.7000
27 N1b N 32.5500 -21.0000
28 C1b C 33.7400 -21.6300
29 C6a C 34.9300 -21.0000
30 O5a O 31.3600 -23.1000
31 O6a O 36.1200 -21.6300
32 O6a O 34.9300 -19.5300
33 C5a C 27.7200 -21.0000
34 C1b C 26.5300 -21.7000
35 O5a O 27.7200 -19.5300
36 C1b C 25.3400 -21.0000
37 C1c C 24.1500 -21.7000
38 C6a C 22.9600 -21.0000
39 N1a N 24.1500 -23.1000
40 O6a O 21.7700 -21.6300
41 O6a O 22.9600 -19.5300
BOND 40
1 1 2 1
2 3 2 1 #Up
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 2 14 2
14 6 15 2
15 3 16 1
16 8 17 1 #Down
17 9 18 2
18 12 19 2
19 17 20 1
20 20 21 1
21 22 23 1
22 24 23 1 #Up
23 24 25 1
24 24 26 1
25 25 27 1
26 27 28 1
27 28 29 1
28 25 30 2
29 29 31 1
30 29 32 2
31 26 33 1
32 33 34 1
33 33 35 2
34 34 36 1
35 36 37 1
36 37 38 1 #Down
37 37 39 1
38 38 40 1
39 38 41 2
40 22 21 1
|