ALIGN 1
1 9:N1a 24:N1a #R1
- 8:C5a * #D1
- * 11:C8y #D1
ENTRY1
COMPOUND
C00064
ATOM 10
1 C1c C 23.8378 -17.4606
2 C1b C 25.0254 -16.7178
3 C6a C 22.6035 -16.7995
4 N1a N 23.8787 -18.8587
5 C1b C 26.2597 -17.3787
6 O6a O 21.4451 -17.5952
7 O6a O 22.6209 -15.4015
8 C5a C 27.4472 -16.6416
9 N1a N 28.6814 -17.3027
10 O5a O 27.4704 -15.2435
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2
ENTRY2
COMPOUND
C16619
ATOM 24
1 N4y N 28.6419 -19.5679
2 C8y C 27.3291 -19.1469
3 C1y C 28.4570 -22.1654
4 C8x C 29.4461 -18.4624
5 C8y C 27.3291 -17.7650
6 N4x N 26.1294 -19.8442
7 O2x O 27.3453 -21.3675
8 C1y C 28.0363 -23.4719
9 N5x N 28.6419 -17.3442
10 C8y C 26.1294 -17.0803
11 C8y C 24.9484 -19.1469
12 C1y C 26.2524 -22.1654
13 C1y C 26.6669 -23.4719
14 O1a O 28.8403 -24.5078
15 N5x N 24.9484 -17.7650
16 S0 S 26.1232 -15.8566
17 C1b C 23.2721 -23.1382
18 O1a O 25.8565 -24.5014
19 O2b O 22.9956 -21.8003
20 P1b P 21.6200 -21.7939
21 O1c O 20.2569 -21.7939
22 O1c O 21.6200 -20.4310
23 O1c O 21.6136 -23.1634
24 N1a N 23.6968 -19.8610
BOND 26
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 1
15 10 16 2
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 5 9 1
24 11 15 2
25 12 13 1
26 11 24 1
