ALIGN 9
1 1:C1c 12:C1c
2 2:C1b 11:C1b
3 3:C6a 13:C6a
4 4:N1a 16:N1a
5 5:C1b 10:C1b #M1
6 6:O6a 17:O6a
7 7:O6a 14:O6a
8 8:C6a 9:C5a #R1
9 10:O6a 15:O5a #M1
- 9:O6a * #D1
- * 8:N1b #D1
ENTRY1
COMPOUND
C00025
ATOM 10
1 C1c C 20.3373 -15.3609
2 C1b C 21.5254 -14.6234
3 C6a C 19.1024 -14.6995
4 N1a N 20.3782 -16.7596
5 C1b C 22.7603 -15.2789
6 O6a O 17.9435 -15.4955
7 O6a O 19.1199 -13.3008
8 C6a C 23.9484 -14.5415
9 O6a O 25.1832 -15.2029
10 O6a O 23.9016 -13.1427
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
C04138
ATOM 17
1 C8y C 0.8625 -1.3375
2 C8x C 1.1193 -0.5492
3 N4x N 0.4458 -0.0583
4 C8x C -0.2276 -0.5492
5 N5x N 0.0333 -1.3375
6 C1b C 1.5750 -1.7458
7 C1b C 2.2875 -1.3333
8 N1b N 3.0042 -1.7417
9 C5a C 3.7208 -1.3292
10 C1b C 4.4375 -1.7417
11 C1b C 5.1542 -1.3292
12 C1c C 5.8708 -1.7417
13 C6a C 6.5875 -1.3292
14 O6a O 7.3042 -1.7417
15 O5a O 3.7208 -0.5000
16 N1a N 5.8708 -2.5708
17 O6a O 6.5875 -0.5000
BOND 17
1 3 4 1
2 8 9 1
3 4 5 2
4 9 10 1
5 5 1 1
6 10 11 1
7 11 12 1
8 1 6 1
9 12 13 1
10 1 2 2
11 13 14 1
12 6 7 1
13 9 15 2
14 2 3 1
15 12 16 1 #Up
16 7 8 1
17 13 17 2
