ALIGN 15
1 1:C8y 1:C8y
2 2:C8y 2:C8y
3 3:C8y 3:C8y
4 4:C8x 4:C8x
5 5:C1b 5:C1b
6 6:C8x 6:C8x
7 7:N4x 7:N4x
8 8:C8x 8:C8x
9 9:C8x 9:C8x
10 10:C1c 10:C1c #M1
11 11:C8x 11:C8x
12 12:C6a 13:C6a
13 13:N1a 12:N1b #R1
14 14:O6a 16:O6a
15 15:O6a 15:O6a
- * 14:C5a #D1
ENTRY1
COMPOUND
C00525
ATOM 15
1 C8y C 1.1897 0.2172
2 C8y C -0.1862 0.2000
3 C8y C 1.2000 -0.5724
4 C8x C 1.8655 0.6172
5 C1b C -0.8690 0.6000
6 C8x C -0.1759 -0.5931
7 N4x N 0.5138 -0.9793
8 C8x C 1.8862 -0.9586
9 C8x C 2.5517 0.2345
10 C1c C -1.5586 0.2000
11 C8x C 2.5621 -0.5552
12 C6a C -2.2448 0.6000
13 N1a N -1.5586 -0.5931
14 O6a O -2.9310 0.2000
15 O6a O -2.2448 1.3897
BOND 16
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 8 11 2
11 10 12 1
12 10 13 1 #Up
13 12 14 1
14 12 15 2
15 6 7 1
16 9 11 1
ENTRY2
COMPOUND
C03137
ATOM 18
1 C8y C 16.8429 -13.9269
2 C8y C 18.2150 -14.2375
3 C8y C 16.1438 -15.0931
4 C8x C 16.1697 -12.6840
5 C1b C 19.2702 -13.3378
6 C8x C 18.2346 -15.6099
7 N4x N 17.0176 -16.1858
8 C8x C 14.7196 -15.1372
9 C8x C 14.7455 -12.6710
10 C1c C 20.4806 -14.0305
11 C8x C 14.0142 -13.9010
12 N1b N 20.4806 -15.4415
13 C6a C 21.6910 -13.3378
14 C5a C 21.7039 -16.1471
15 O6a O 22.9079 -14.0498
16 O6a O 21.6910 -11.9656
17 C1a C 21.7039 -17.5516
18 O5a O 22.9209 -15.4415
BOND 19
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 8 11 2
11 10 12 1 #Down
12 10 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 14 18 2
18 6 7 1
19 9 11 1
