ALIGN 10
1 1:C1c 24:C1c #M1
2 2:C1b 25:C1b
3 3:C6a 26:C6a
4 4:N1a 22:N1b #R1
5 5:C1b 27:C1b
6 6:O6a 28:O6a
7 7:O6a 29:O6a
8 8:C6a 30:C6a
9 9:O6a 31:O6a
10 10:O6a 32:O6a
- * 21:C5a #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
C00415
ATOM 32
1 C8y C 11.2939 -20.0951
2 C8y C 11.2939 -18.7455
3 N1x N 12.3457 -20.8192
4 N5x N 10.0555 -20.8079
5 N2x N 12.4333 -18.0972
6 C8y C 10.0906 -18.0447
7 C1x C 13.5549 -20.0951
8 C8y C 8.8872 -20.0776
9 C2y C 13.5549 -18.7455
10 N4x N 8.8812 -18.7163
11 O5x O 10.1082 -16.7529
12 N1a N 7.6077 -20.7962
13 C1b C 14.6999 -18.1380
14 N1b N 15.7864 -18.6989
15 C8y C 17.1126 -18.1145
16 C8x C 17.1010 -16.7534
17 C8x C 18.3045 -18.7982
18 C8x C 18.3279 -16.0348
19 C8x C 19.5195 -18.0795
20 C8y C 19.5079 -16.7007
21 C5a C 20.7992 -15.9414
22 N1b N 22.1427 -16.7476
23 O5a O 20.7875 -14.6794
24 C1c C 23.4222 -15.9414
25 C1b C 24.7014 -16.6893
26 C6a C 23.4162 -14.4052
27 C1b C 25.8641 -15.8128
28 O6a O 22.1544 -13.6982
29 O6a O 24.6664 -13.6866
30 C6a C 27.0910 -16.6599
31 O6a O 28.4054 -16.0348
32 O6a O 27.0850 -18.1317
BOND 34
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 6 10 1
10 6 11 2
11 8 12 1
12 9 13 1
13 13 14 1
14 14 15 1
15 15 16 2
16 15 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 21 22 1
22 21 23 2
23 22 24 1
24 24 25 1 #Down
25 24 26 1
26 25 27 1
27 26 28 1
28 26 29 2
29 27 30 1
30 30 31 1
31 30 32 2
32 7 9 1
33 8 10 1
34 19 20 1
