ATOM 19
1 C8y C 29.9567 -18.8288
2 N5x N 30.3156 -20.1768
3 O2x O 31.7090 -20.1797
4 C8y C 32.2136 -18.9470
5 C8x C 31.1281 -18.0661
6 C1y C 25.1157 -18.8245
7 C1y C 25.1157 -20.2288
8 C1y C 26.3285 -20.9273
9 C1y C 27.5414 -20.2288
10 C1y C 27.5414 -18.8245
11 O2x O 26.3285 -18.1191
12 O2a O 28.7495 -18.1191
13 O1a O 28.7495 -20.9273
14 O1a O 26.3152 -22.3315
15 O1a O 23.8951 -20.9202
16 C6a C 23.9020 -18.1191
17 C1a C 33.4207 -18.2318
18 O6a O 23.8362 -16.7220
19 O6a O 22.6902 -18.8140
BOND 20
1 7 8 1
2 8 9 1
3 9 10 1
4 10 11 1
5 11 6 1
6 10 12 1 #Down
7 1 2 2
8 9 13 1 #Down
9 2 3 1
10 8 14 1 #Up
11 3 4 1
12 7 15 1 #Down
13 4 5 2
14 6 16 1 #Up
15 12 1 1
16 5 1 1
17 4 17 1
18 16 18 2
19 6 7 1
20 16 19 1
|