ALIGN 11
1 1:C8x 1:C8x
2 2:C8x 2:C8x
3 3:C8x 3:C8x
4 4:C8y 4:C8y
5 5:C8y 5:C8y
6 6:C8x 6:C8x
7 7:C2x 7:C2x
8 8:C2x 8:C2x #M1
9 9:C1y 9:C1y #R1
10 10:C1y 10:C1y #M1 #M2
11 11:O2x 11:O1a #R2
- 9:C1y * #D2
- 11:O2x * #D1
- * 12:S2a #D1
ENTRY1
COMPOUND
C14786
ATOM 11
1 C8x C 15.0500 -17.5700
2 C8x C 15.0500 -18.9700
3 C8x C 16.2624 -19.6700
4 C8y C 17.4749 -18.9700
5 C8y C 17.4749 -17.5700
6 C8x C 16.2624 -16.8700
7 C2x C 18.6873 -19.6700
8 C2x C 19.8997 -18.9700
9 C1y C 19.8997 -17.5700
10 C1y C 18.6873 -16.8700
11 O2x O 19.8800 -16.1700
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Up
13 9 11 1 #Up
ENTRY2
COMPOUND
C14791
ATOM 31
1 C8x C 17.5000 -19.3200
2 C8x C 17.5000 -20.7200
3 C8x C 18.6900 -21.4200
4 C8y C 19.9500 -20.7200
5 C8y C 19.9500 -19.3200
6 C8x C 18.6900 -18.6200
7 C2x C 21.1400 -21.4200
8 C2x C 22.3300 -20.7200
9 C1y C 22.3300 -19.3200
10 C1y C 21.1400 -18.6200
11 O1a O 21.1400 -17.3600
12 S2a S 23.5200 -18.6200
13 C1c C 24.7100 -16.1000
14 C5a C 23.4500 -15.4700
15 N1b N 25.9000 -15.4000
16 C1b C 24.7100 -17.5000
17 N1b N 22.2600 -16.1700
18 O5a O 23.5200 -14.0700
19 C5a C 27.1600 -16.0300
20 C1b C 21.0700 -15.5400
21 C1b C 28.3500 -15.3300
22 O5a O 27.1600 -17.4300
23 C6a C 19.8800 -16.2400
24 C1b C 29.5400 -15.9600
25 O6a O 18.6200 -15.6100
26 O6a O 19.8800 -17.6400
27 C1c C 30.7300 -15.1900
28 C6a C 31.9900 -15.8900
29 N1a N 30.7300 -13.7900
30 O6a O 33.1100 -15.1200
31 O6a O 31.9900 -17.2900
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Up
13 9 12 1 #Down
14 13 14 1
15 13 15 1
16 13 16 1 #Up
17 14 17 1
18 14 18 2
19 15 19 1
20 17 20 1
21 19 21 1
22 19 22 2
23 20 23 1
24 21 24 1
25 23 25 1
26 23 26 2
27 24 27 1
28 27 28 1
29 27 29 1 #Down
30 28 30 1
31 28 31 2
32 16 12 1
