ALIGN 15
1 1:N5x 1:N5x
2 2:C8x 2:C8x
3 3:C8x 3:C8x
4 4:C8x 4:C8x
5 5:C8y 5:C8y
6 6:C8x 6:C8x
7 7:C1c 7:C1c
8 8:C1b 8:C1b
9 9:C1b 9:C1b
10 10:C1b 10:C1b
11 11:N1c 11:N1c #M1
12 12:C1a 12:C1b #R1
13 13:O1a 13:O1a
14 14:N2b 14:N2b
15 15:O3a 15:O3a
- * 16:O1a #D1
ENTRY1
COMPOUND
C19574
ATOM 15
1 N5x N 18.0419 -19.7673
2 C8x C 18.0419 -21.1643
3 C8x C 19.2517 -21.8628
4 C8x C 20.4616 -21.1643
5 C8y C 20.4616 -19.7673
6 C8x C 19.2517 -19.0688
7 C1c C 21.6964 -19.0688
8 C1b C 22.9063 -19.7673
9 C1b C 24.1161 -19.0688
10 C1b C 25.3258 -19.7673
11 N1c N 26.5357 -19.0688
12 C1a C 27.7455 -19.7673
13 O1a O 21.7026 -17.6721
14 N2b N 26.5357 -17.6721
15 O3a O 27.7663 -16.9613
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 13 1
14 11 14 1
15 14 15 2
ENTRY2
COMPOUND
C19580
ATOM 16
1 N5x N 18.0417 -19.7671
2 C8x C 18.0417 -21.1641
3 C8x C 19.2515 -21.8626
4 C8x C 20.4614 -21.1641
5 C8y C 20.4614 -19.7671
6 C8x C 19.2515 -19.0686
7 C1c C 21.6962 -19.0686
8 C1b C 22.9061 -19.7671
9 C1b C 24.1159 -19.0686
10 C1b C 25.3256 -19.7671
11 N1c N 26.5355 -19.0686
12 C1b C 27.7453 -19.7671
13 O1a O 21.7024 -17.6719
14 N2b N 26.5355 -17.6719
15 O3a O 27.7661 -16.9612
16 O1a O 28.9500 -19.0713
BOND 16
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 13 1
14 11 14 1
15 14 15 2
16 12 16 1