ALIGN 16
1 1:C8y 1:C8y
2 2:C8y 2:C8y
3 3:C8y 3:C8y
4 4:C8x 4:C8x
5 5:N4x 5:N4x
6 6:C8x 6:C8x
7 7:C8x 7:C8x
8 8:C1b 8:C1b
9 9:C8y 9:C8y #M1
10 10:C8x 10:C8x
11 11:C1b 11:C1b
12 12:O1a 12:O2a #R1
13 13:N1b 13:N1b
14 14:C5a 15:C5a
15 15:C1a 16:C1a
16 16:O5a 17:O5a
- * 14:C1a #D1
ENTRY1
COMPOUND
C00978
ATOM 16
1 C8y C 19.8128 -15.5281
2 C8y C 19.8128 -16.8779
3 C8y C 22.1504 -15.5281
4 C8x C 18.6409 -14.8592
5 N4x N 20.9786 -17.5528
6 C8x C 18.6409 -17.5588
7 C8x C 22.1504 -16.8779
8 C1b C 23.2917 -14.8470
9 C8y C 17.4874 -15.5281
10 C8x C 17.4874 -16.8779
11 C1b C 24.4573 -15.4973
12 O1a O 16.3339 -14.8592
13 N1b N 25.6748 -14.8101
14 C5a C 26.8404 -15.4605
15 C1a C 26.8589 -17.0780
16 O5a O 27.9816 -14.7795
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 6 10 2
10 8 11 1
11 9 12 1
12 11 13 1
13 13 14 1
14 14 15 1
15 14 16 2
16 5 7 1
17 9 10 1
ENTRY2
COMPOUND
C01598
ATOM 17
1 C8y C 20.6008 -16.1246
2 C8y C 20.6008 -14.7715
3 C8y C 22.9442 -16.1246
4 C8x C 19.4261 -16.8074
5 N4x N 21.7693 -14.0950
6 C8x C 19.4261 -14.1010
7 C8x C 22.9442 -14.7715
8 C1b C 23.8153 -17.0718
9 C8y C 18.2697 -16.1246
10 C8x C 18.2697 -14.7715
11 C1b C 25.0369 -16.6573
12 O2a O 17.1073 -16.7889
13 N1b N 26.1240 -17.6684
14 C1a C 15.9509 -16.1123
15 C5a C 27.4158 -17.2540
16 C1a C 28.3629 -18.2711
17 O5a O 27.9763 -16.0324
BOND 18
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 6 10 2
10 8 11 1
11 9 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 15 16 1
16 15 17 2
17 5 7 1
18 9 10 1
