ALIGN 5
1 7:C1b 12:C1b #R1
2 11:C2b 13:C2b #M1
3 12:C2c 14:C2c
4 13:C1a 16:C1a
5 14:C1a 15:C1a
- 3:O2b * #D1
- * 10:C1b #D1
ENTRY1
COMPOUND
C00235
ATOM 14
1 P1b P 23.1908 -16.4845
2 O2c O 24.5937 -16.4845
3 O2b O 21.8007 -16.4974
4 O1c O 23.1908 -14.9481
5 O1c O 23.1908 -17.8876
6 P1b P 25.9903 -16.4845
7 C1b C 20.5908 -15.7960
8 O1c O 27.3933 -16.4845
9 O1c O 25.9903 -14.9481
10 O1c O 25.9903 -17.8876
11 C2b C 19.3745 -16.4974
12 C2c C 18.1645 -15.7960
13 C1a C 16.9482 -16.4974
14 C1a C 18.1645 -14.3929
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 3 7 1
7 6 8 1
8 6 9 1
9 6 10 2
10 7 11 1
11 11 12 2
12 12 13 1
13 12 14 1
ENTRY2
COMPOUND
C19760
ATOM 24
1 C1b C 23.7300 -21.5600
2 O2b O 25.1300 -21.5600
3 C2b C 23.0300 -22.7724
4 C2c C 21.6300 -22.7724
5 C1b C 20.9202 -21.5433
6 C1a C 20.9397 -23.9680
7 C1b C 19.5202 -21.5433
8 C2b C 18.8202 -22.7557
9 C2c C 17.4202 -22.7557
10 C1b C 16.7202 -21.5433
11 C1a C 16.7252 -23.9596
12 C1b C 15.3202 -21.5433
13 C2b C 14.6202 -22.7557
14 C2c C 13.2202 -22.7557
15 C1a C 12.5202 -21.5433
16 C1a C 12.5252 -23.9596
17 P1b P 26.5300 -21.5600
18 O2c O 27.9300 -21.5600
19 P1b P 29.3300 -21.5600
20 O1c O 30.7300 -21.5600
21 O1c O 29.3300 -20.1600
22 O1c O 29.3300 -22.9600
23 O1c O 26.5300 -22.9600
24 O1c O 26.5300 -20.1600
BOND 23
1 1 2 1
2 1 3 1
3 3 4 2
4 4 5 1
5 4 6 1
6 5 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 9 11 1
11 10 12 1
12 12 13 1
13 13 14 2
14 14 15 1
15 14 16 1
16 2 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 19 21 1
21 19 22 2
22 17 23 2
23 17 24 1
