ATOM 33
1 C1y C 17.5129 -21.5219
2 O2x O 18.7118 -20.8268
3 C1y C 17.5129 -22.8992
4 C6a C 16.4672 -20.6100
5 C1y C 19.9233 -21.5154
6 C1y C 18.7118 -23.6005
7 O1a O 16.3205 -23.6005
8 O6a O 16.7349 -19.2454
9 O6a O 15.1537 -21.0627
10 C1y C 19.9233 -22.8992
11 O1a O 18.7118 -24.9844
12 O1a O 21.1285 -23.6005
13 C1z C 25.5248 -24.0073
14 C8y C 25.5248 -22.6968
15 C1y C 26.6973 -24.6969
16 C1y C 24.4212 -24.6280
17 C1x C 26.6973 -23.3865
18 C8y C 24.4212 -22.0760
19 C8y C 26.6973 -22.0760
20 C1y C 27.8009 -24.0073
21 C2x C 26.6973 -25.9384
22 O2x O 23.1108 -23.3174
23 C1y C 24.4212 -25.9384
24 C1x C 28.9043 -23.3865
25 C8y C 24.4212 -20.7655
26 C1x C 27.8009 -22.7657
27 C8x C 26.6973 -20.7655
28 N1y N 28.9043 -24.6969
29 C2x C 25.5248 -26.6282
30 O1a O 23.3177 -26.6282
31 C8x C 25.5938 -20.1449
32 O2a O 23.3177 -20.1449
33 C1a C 30.2890 -24.6969
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 1 #Up
11 10 12 1 #Down
12 6 10 1
13 13 14 1
14 13 15 1
15 13 16 1
16 13 17 1 #Up
17 14 18 2
18 14 19 1
19 15 20 1
20 15 21 1
21 16 22 1 #Down
22 16 23 1
23 17 24 1
24 18 25 1
25 19 26 1
26 19 27 2
27 20 28 1 #Up
28 21 29 2
29 23 30 1 #Down
30 25 31 2
31 25 32 1
32 18 22 1
33 20 26 1
34 23 29 1
35 24 28 1
36 27 31 1
37 28 33 1
38 5 32 1 #Up
| 
