ALIGN 11
1 1:C8y 5:C8y
2 2:C1b 2:C1b
3 3:C8x 9:C8x
4 4:N5x 10:N5x
5 5:C1c 1:C1c #M1
6 6:N4x 13:N4x
7 7:C8x 14:C8x
8 8:C6a 4:C6a
9 9:N1a 3:N1b #R1
10 10:O6a 7:O6a
11 11:O6a 8:O6a
- * 6:C5a #D1
ENTRY1
COMPOUND
C00135
ATOM 11
1 C8y C 24.9301 -16.1704
2 C1b C 23.7417 -15.4887
3 C8x C 24.9301 -17.4169
4 N5x N 27.0970 -16.1704
5 C1c C 22.5476 -16.1704
6 N4x N 26.0077 -18.0402
7 C8x C 27.0970 -17.4169
8 C6a C 21.3651 -15.4887
9 N1a N 22.5476 -17.5451
10 O6a O 20.1709 -16.1704
11 O6a O 21.3651 -14.1082
BOND 11
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 2
7 5 8 1
8 5 9 1 #Down
9 8 10 1
10 8 11 2
11 6 7 1
ENTRY2
COMPOUND
C00386
ATOM 16
1 C1c C 20.1668 -11.9206
2 C1b C 20.8852 -11.5107
3 N1b N 19.4560 -11.5107
4 C6a C 20.1668 -12.7473
5 C8y C 21.5969 -11.9238
6 C5a C 18.7411 -11.9206
7 O6a O 20.8852 -13.1572
8 O6a O 19.4560 -13.1572
9 C8x C 21.8490 -12.7155
10 N5x N 22.2753 -11.4443
11 C1b C 18.0227 -11.5107
12 O5a O 18.7411 -12.7473
13 N4x N 22.6787 -12.7183
14 C8x C 22.9378 -11.9408
15 C1b C 17.3120 -11.9206
16 N1a N 16.5970 -11.5107
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 9 13 1
13 10 14 2
14 11 15 1
15 15 16 1
16 13 14 1
