ATOM 35
1 O1a O 18.3316 -20.6428
2 C1y C 19.5211 -19.9430
3 C1y C 20.7809 -20.7129
4 C1x C 21.9704 -20.0130
5 C1y C 21.9704 -18.6134
6 C1y C 20.7809 -17.9136
7 C1y C 19.5211 -18.6134
8 N1a N 20.7809 -22.1124
9 O2a O 18.3316 -17.9136
10 N1a N 23.2301 -17.9136
11 O2a O 20.7809 -16.5141
12 C1y C 21.9704 -15.8142
13 O2x O 23.1602 -16.5141
14 C1y C 24.3498 -15.8142
15 C1y C 24.3498 -14.4147
16 C1y C 23.1602 -13.7149
17 C1y C 21.9704 -14.4147
18 C1b C 25.6094 -16.5141
19 N1a N 20.7109 -13.7149
20 O1a O 23.1602 -12.3152
21 O1a O 25.5395 -13.7149
22 N1a N 25.6094 -17.9136
23 C1y C 15.1125 -19.6631
24 C1y C 16.5120 -19.6631
25 C1y C 16.9319 -18.3335
26 O2x O 15.8122 -17.4938
27 C1y C 14.6926 -18.3335
28 C1b C 13.3630 -17.9136
29 O2b O 12.3133 -18.8234
30 O1a O 14.2727 -20.7828
31 O1a O 17.3519 -20.7828
32 P1b P 10.9133 -18.8234
33 O1c O 10.9133 -17.4234
34 O1c O 9.5133 -18.8234
35 O1c O 10.9133 -20.2234
BOND 37
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 16 20 1 #Up
22 15 21 1 #Down
23 18 22 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 23 27 1
29 27 28 1 #Up
30 28 29 1
31 23 30 1 #Down
32 24 31 1 #Down
33 25 9 1 #Up
34 29 32 1
35 32 33 2
36 32 34 1
37 32 35 1
| 
