ATOM 21
1 C1y C 21.2693 -17.7200
2 N1x N 20.0628 -17.0148
3 C1x C 21.2693 -19.1246
4 C1b C 22.4758 -17.0148
5 C1y C 18.8446 -17.7200
6 C1x C 20.0628 -19.8183
7 C1b C 23.6880 -17.7200
8 C1y C 18.8446 -19.1246
9 C1a C 17.6264 -17.0263
10 C1b C 24.9003 -17.0263
11 O1a O 17.6264 -19.8183
12 C1b C 26.1127 -17.7257
13 C1b C 27.3133 -17.0322
14 C1b C 28.5257 -17.7374
15 C1b C 29.7380 -17.0379
16 C1b C 30.9502 -17.7433
17 C1b C 32.1627 -17.0439
18 C1b C 33.3749 -17.7490
19 C5a C 34.5814 -17.0439
20 C1a C 35.7939 -17.7490
21 O5a O 34.5757 -15.6450
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1 #Up
9 7 10 1
10 8 11 1 #Up
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 19 21 2
21 6 8 1
|