ALIGN 15
1 1:C1z 1:C1z
2 2:C1b 2:C1b #M1
3 3:C2x 4:C2x
4 4:C2x 3:C2x
5 5:C6a 5:C6a
6 6:C5a 6:C1c #R1
7 7:C2x 8:C2x
8 8:C2x 7:C2x
9 9:O6a 9:O6a
10 10:O6a 10:O6a
11 11:C6a 11:C6a #M1
12 13:C1y 13:C1y
13 14:O6a 14:O6a
14 15:O6a 15:O6a
15 16:O1a 16:O1a
- 12:O5a * #D1
- * 12:N1a #D1
ENTRY1
COMPOUND
C00254
ATOM 16
1 C1z C 20.9491 -15.5300
2 C1b C 22.1428 -14.8239
3 C2x C 19.7423 -16.2232
4 C2x C 22.1751 -16.2232
5 C6a C 19.7294 -14.8303
6 C5a C 23.3625 -15.5106
7 C2x C 19.7423 -17.6353
8 C2x C 22.1751 -17.6353
9 O6a O 19.7294 -13.4310
10 O6a O 18.5226 -15.5300
11 C6a C 24.5628 -14.7982
12 O5a O 23.3753 -16.9736
13 C1y C 20.9491 -18.3479
14 O6a O 25.7761 -15.4849
15 O6a O 24.5436 -13.4688
16 O1a O 19.7994 -19.0411
BOND 16
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 2
12 7 13 1
13 11 14 1
14 11 15 2
15 13 16 1
16 8 13 1
ENTRY2
COMPOUND
C00826
ATOM 16
1 C1z C 21.1030 -15.1142
2 C1b C 22.2976 -14.4217
3 C2x C 19.9082 -15.8133
4 C2x C 22.3230 -15.8133
5 C6a C 19.9145 -14.4152
6 C1c C 23.4988 -15.1142
7 C2x C 19.9082 -17.2115
8 C2x C 22.3230 -17.2115
9 O6a O 18.4147 -15.2287
10 O6a O 19.8890 -13.1570
11 C6a C 24.6934 -14.4217
12 N1a N 23.4988 -16.4933
13 C1y C 21.1092 -17.9168
14 O6a O 25.8882 -15.1142
15 O6a O 24.6934 -13.1061
16 O1a O 21.1030 -19.4359
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Up
12 7 13 1
13 11 14 1
14 11 15 2
15 13 16 1
16 8 13 1
