ALIGN 12
1 1:C8y 1:C8y
2 2:C1b 2:C1b
3 3:N4y 3:N4y
4 4:C8x 4:C8x
5 5:C1c 5:C1c #M1
6 6:C8x 6:C8x
7 7:C1a 7:C1a
8 8:N5x 8:N5x
9 9:C6a 10:C6a
10 10:N1a 9:N1b #R1
11 11:O6a 12:O6a
12 12:O6a 13:O6a
- * 11:C5a #D1
ENTRY1
COMPOUND
C01152
ATOM 12
1 C8y C 0.5069 -0.1000
2 C1b C -0.1690 0.2931
3 N4y N 1.1828 0.2931
4 C8x C 0.5069 -0.8793
5 C1c C -0.8414 -0.1000
6 C8x C 1.8586 -0.1000
7 C1a C 1.1828 1.0759
8 N5x N 1.8586 -0.8793
9 C6a C -1.5241 0.2931
10 N1a N -0.8414 -0.8793
11 O6a O -1.5207 1.0759
12 O6a O -2.2000 -0.1034
BOND 12
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Down
10 9 11 1
11 9 12 2
12 6 8 2
ENTRY2
COMPOUND
C01262
ATOM 17
1 C8y C 25.4489 -16.2086
2 C1b C 24.1544 -15.7895
3 N4y N 26.5558 -15.4081
4 C8x C 25.8741 -17.5093
5 C1c C 22.9787 -16.4712
6 C8x C 27.6501 -16.2148
7 C1a C 26.5433 -13.8072
8 N5x N 27.2374 -17.4968
9 N1b N 21.3153 -15.8084
10 C6a C 22.9787 -17.8344
11 C5a C 20.1396 -16.4899
12 O6a O 24.1544 -18.5161
13 O6a O 21.7968 -18.5161
14 C1b C 18.9577 -15.8084
15 O5a O 20.1396 -17.8470
16 C1b C 17.7820 -16.4899
17 N1a N 16.6065 -15.8084
BOND 17
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1
11 10 12 1
12 10 13 2
13 11 14 1
14 11 15 2
15 14 16 1
16 16 17 1
17 6 8 2
