ALIGN 12
1 1:C1b 1:C1b
2 2:C1b 2:C1b
3 3:C1c 3:C1c #M1
4 4:C1b 4:C1b
5 5:C6a 5:C6a
6 6:N1a 6:N1b #R1
7 7:N1b 7:N1b
8 8:O6a 8:O6a
9 9:O6a 9:O6a
10 10:C5a 10:C5a
11 11:N1a 11:N1a
12 12:O5a 12:O5a
- * 13:C5a #D1
ENTRY1
COMPOUND
C00327
ATOM 12
1 C1b C 24.4033 -15.4998
2 C1b C 25.6020 -16.2213
3 C1c C 23.1757 -16.1747
4 C1b C 26.8298 -15.5463
5 C6a C 21.9829 -15.4532
6 N1a N 23.1525 -17.5712
7 N1b N 28.0283 -16.2679
8 O6a O 20.7552 -16.1398
9 O6a O 22.0062 -14.0510
10 C5a C 29.2503 -15.5870
11 N1a N 30.4488 -16.3085
12 O5a O 29.2736 -14.1848
BOND 11
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 5 8 1
8 5 9 2
9 7 10 1
10 10 11 1
11 10 12 2
ENTRY2
COMPOUND
C15532
ATOM 15
1 C1b C 27.5533 -19.9098
2 C1b C 28.7520 -20.6313
3 C1c C 26.3257 -20.5847
4 C1b C 29.9798 -19.9563
5 C6a C 25.1329 -19.8632
6 N1b N 26.3025 -21.9812
7 N1b N 31.1783 -20.6779
8 O6a O 23.9052 -20.5498
9 O6a O 25.1562 -18.4610
10 C5a C 32.4003 -19.9970
11 N1a N 33.5988 -20.7185
12 O5a O 32.4236 -18.5948
13 C5a C 27.5154 -22.7088
14 C1a C 28.7473 -22.0249
15 O5a O 27.4922 -24.0799
BOND 14
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 5 8 1
8 5 9 2
9 7 10 1
10 10 11 1
11 10 12 2
12 6 13 1
13 13 14 1
14 13 15 2
