ATOM 33
1 C8y C 22.0085 -19.1927
2 C8x C 22.0085 -20.5869
3 N4y N 23.2189 -21.2840
4 C8y C 24.4221 -20.5869
5 C8y C 24.4221 -19.1927
6 C8y C 23.2189 -18.4956
7 C1z C 20.8060 -18.5021
8 C1x C 20.8067 -17.1079
9 C1x C 19.5996 -16.4103
10 C1y C 18.3918 -17.1067
11 C1x C 18.3911 -18.5009
12 C1x C 19.5982 -19.1986
13 C5a C 25.6207 -18.4956
14 C2b C 26.8248 -19.1858
15 C2b C 28.0288 -18.4887
16 C2b C 29.2329 -19.1787
17 C2b C 30.4369 -18.4816
18 C2c C 31.6410 -19.1716
19 C2b C 32.8450 -18.4745
20 C1c C 34.0491 -19.1647
21 C1b C 35.2531 -18.4676
22 C1c C 36.4572 -19.1576
23 C1b C 37.6613 -18.4605
24 C1a C 38.8653 -19.1505
25 O1a O 17.1849 -16.4089
26 O5x O 25.6298 -21.2831
27 O1a O 23.2205 -17.1015
28 O5a O 25.6161 -17.1015
29 C1a C 31.6440 -20.5658
30 C1a C 34.0521 -20.5588
31 C1a C 36.4602 -20.5517
32 O1b O 23.2205 -22.6781
33 O1a O 20.8045 -20.1644
BOND 34
1 15 16 1
2 3 4 1
3 16 17 2
4 4 5 1
5 17 18 1
6 5 6 2
7 18 19 2
8 7 8 1
9 19 20 1
10 8 9 1
11 20 21 1
12 9 10 1
13 21 22 1
14 10 11 1
15 22 23 1
16 11 12 1
17 23 24 1
18 12 7 1
19 10 25 1 #Up
20 7 1 1 #Down
21 4 26 2
22 6 1 1
23 6 27 1
24 5 13 1
25 13 28 2
26 18 29 1
27 13 14 1
28 20 30 1 #Up
29 1 2 2
30 22 31 1 #Up
31 14 15 2
32 2 3 1
33 3 32 1
34 7 33 1 #Up
| 
