ALIGN 27 #similarity=0.967742
1 1:C1z 1:C1z
2 2:C8y 2:C8y
3 3:C2y 3:C2y
4 4:C2x 4:C2x
5 5:C1x 5:C1x
6 6:C8y 6:C8y
7 7:C8y 7:C8y
8 8:C1y 8:C1y
9 9:C2x 9:C2x
10 10:C2y 10:C2y
11 11:C1x 11:C1x
12 12:C8x 12:C8x
13 13:C1x 13:C1x
14 14:C8y 14:C8y
15 15:O2a 15:O2a
16 16:C1x 16:C1x
17 17:N1y 17:N1y
18 18:C5x 18:C5x
19 19:O2a 19:O2a
20 20:C8y 20:C8y #M1
21 21:O2a 21:O2a
22 22:C1a 22:C1a
23 23:C1a 23:C1a
24 24:O5x 24:O5x
25 25:C1a 25:C1a
26 26:O1a 26:O2a #R1
27 27:C1a 28:C1a
- * 27:C1a #D1
ENTRY1
COMPOUND
C16708
ATOM 27
1 C1z C 24.3604 -14.9528
2 C8y C 23.3081 -14.1221
3 C2y C 25.6700 -14.6595
4 C2x C 23.9606 -16.2378
5 C1x C 24.6646 -13.6481
6 C8y C 23.3086 -12.7756
7 C8y C 22.1362 -14.7919
8 C1y C 26.2523 -13.4425
9 C2x C 26.5876 -15.6490
10 C2y C 24.8705 -17.2296
11 C1x C 27.2070 -12.1188
12 C8x C 22.1424 -12.1017
13 C1x C 24.3626 -11.9336
14 C8y C 20.9752 -14.1208
15 O2a O 22.1276 -16.1406
16 C1x C 25.6780 -12.2304
17 N1y N 27.5896 -13.4113
18 C5x C 26.1828 -16.9311
19 O2a O 24.2248 -18.4047
20 C8y C 20.9758 -12.7742
21 O2a O 19.8203 -14.8199
22 C1a C 20.9638 -16.8081
23 C1a C 28.5594 -14.3430
24 O5x O 27.1548 -17.8708
25 C1a C 22.9142 -18.7841
26 O1a O 19.7897 -12.1360
27 C1a C 18.4680 -14.4576
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 2
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 2
14 7 15 1
15 8 16 1
16 8 17 1 #Down
17 9 18 1
18 10 19 1
19 12 20 2
20 14 21 1
21 15 22 1
22 17 23 1
23 18 24 2
24 19 25 1
25 20 26 1
26 10 18 1
27 11 17 1
28 13 16 1
29 14 20 1
30 21 27 1
ENTRY2
COMPOUND
C16709
ATOM 28
1 C1z C 24.5703 -15.7928
2 C8y C 23.5180 -14.9621
3 C2y C 25.8799 -15.4995
4 C2x C 24.1705 -17.0778
5 C1x C 24.8745 -14.4881
6 C8y C 23.5185 -13.6156
7 C8y C 22.3461 -15.6319
8 C1y C 26.4622 -14.2825
9 C2x C 26.7975 -16.4890
10 C2y C 25.0804 -18.0695
11 C1x C 27.4169 -12.9588
12 C8x C 22.3523 -12.9417
13 C1x C 24.5725 -12.7736
14 C8y C 21.1851 -14.9608
15 O2a O 22.3375 -16.9806
16 C1x C 25.8879 -13.0704
17 N1y N 27.7995 -14.2513
18 C5x C 26.3927 -17.7711
19 O2a O 24.4347 -19.2446
20 C8y C 21.1857 -13.6142
21 O2a O 20.0302 -15.6599
22 C1a C 21.1737 -17.6481
23 C1a C 28.7693 -15.1830
24 O5x O 27.3647 -18.7107
25 C1a C 23.1241 -19.6240
26 O2a O 19.9996 -12.9760
27 C1a C 18.8579 -13.6757
28 C1a C 18.6779 -15.2976
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 2
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 2
14 7 15 1
15 8 16 1
16 8 17 1 #Down
17 9 18 1
18 10 19 1
19 12 20 2
20 14 21 1
21 15 22 1
22 17 23 1
23 18 24 2
24 19 25 1
25 20 26 1
26 26 27 1
27 10 18 1
28 11 17 1
29 13 16 1
30 14 20 1
31 21 28 1
