ALIGN 10
1 1:C1b 11:C1b
2 2:N1b 12:N1b
3 3:C1b 10:C1b
4 4:C1b 13:C1b
5 5:C1b 9:C1b
6 6:C1b 14:C1b
7 7:C1b 8:C1b #M1
8 8:C1b 16:C1b
9 9:N1a 7:N1b #R1
10 10:N1a 17:N1a
- * 6:C1b #D1
ENTRY1
COMPOUND
C00315
ATOM 10
1 C1b C 23.8990 -23.5201
2 N1b N 25.1010 -22.8199
3 C1b C 22.6854 -22.8199
4 C1b C 26.3146 -23.5201
5 C1b C 21.4717 -23.5201
6 C1b C 27.5283 -22.8199
7 C1b C 20.2581 -22.8199
8 C1b C 28.7419 -23.5201
9 N1a N 19.0445 -23.5201
10 N1a N 29.9555 -22.8199
BOND 9
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
ENTRY2
COMPOUND
C02567
ATOM 17
1 C1a C 15.0500 -18.6900
2 C5a C 16.2624 -17.9900
3 N1b N 17.4749 -18.6900
4 C1b C 18.6873 -17.9900
5 C1b C 19.8997 -18.6900
6 C1b C 21.1122 -17.9900
7 N1b N 22.3246 -18.6900
8 C1b C 23.5370 -17.9900
9 C1b C 24.7495 -18.6900
10 C1b C 25.9619 -17.9900
11 C1b C 27.1744 -18.6900
12 N1b N 28.3868 -17.9900
13 C1b C 29.5992 -18.6900
14 C1b C 30.8117 -17.9900
15 O5a O 16.2624 -16.5902
16 C1b C 32.0153 -18.6850
17 N1a N 33.2065 -17.9971
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 2 15 2
15 14 16 1
16 16 17 1
