ALIGN 15
1 1:C1b 23:C1b #R1
2 3:C2b 22:C2b #M1
3 5:C2c 21:C2c
4 9:C1b 20:C1b
5 10:C1a 28:C1a
6 12:C1b 19:C1b
7 16:C2b 18:C2b
8 17:C2c 17:C2c
9 18:C1b 16:C1b
10 19:C1a 27:C1a
11 20:C1b 15:C1b
12 21:C2b 14:C2b
13 22:C2c 13:C2c
14 23:C1a 12:C1a
15 24:C1a 26:C1a
- 2:O2b * #D1
- * 24:C1b #D1
ENTRY1
COMPOUND
C00448
ATOM 24
1 C1b C 24.1733 -14.3888
2 O2b O 25.3903 -15.0842
3 C2b C 22.9627 -15.0842
4 P1b P 26.7811 -15.0779
5 C2c C 21.7458 -14.3888
6 O2c O 28.1784 -15.0779
7 O1c O 26.7747 -13.5405
8 O1c O 26.7811 -16.5516
9 C1b C 20.5351 -15.0842
10 C1a C 21.7458 -12.9851
11 P1b P 29.5821 -15.0779
12 C1b C 20.5351 -16.4881
13 O1c O 30.9795 -15.0779
14 O1c O 29.5821 -13.5405
15 O1c O 29.5821 -16.5516
16 C2b C 19.3245 -17.1898
17 C2c C 18.1076 -16.4881
18 C1b C 16.8970 -17.1898
19 C1a C 18.1076 -15.0842
20 C1b C 16.8970 -18.5872
21 C2b C 15.6864 -19.2891
22 C2c C 14.4694 -18.5872
23 C1a C 13.2588 -19.2891
24 C1a C 14.4694 -17.1898
BOND 23
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 1
10 6 11 1
11 9 12 1
12 11 13 1
13 11 14 1
14 11 15 2
15 12 16 1
16 16 17 2
17 17 18 1
18 17 19 1
19 18 20 1
20 20 21 1
21 21 22 2
22 22 23 1
23 22 24 1
ENTRY2
COMPOUND
C11356
ATOM 29
1 O2b O 8.6542 -13.5916
2 P1b P 9.4233 -13.5882
3 O2c O 10.2000 -13.5882
4 O1c O 9.4233 -12.8114
5 O1c O 9.4268 -14.3573
6 P1b P 10.9733 -13.5882
7 O1c O 11.7458 -13.5882
8 O1c O 10.9733 -12.8114
9 O1c O 10.9733 -14.3573
10 C1b C 7.9167 -13.1708
11 C2b C 7.9250 -12.3167
12 C1a C -2.3625 -12.3459
13 C2c C -1.6292 -11.9209
14 C2b C -0.8958 -12.3417
15 C1b C -0.1583 -11.9125
16 C1b C 0.5750 -12.3375
17 C2c C 1.3083 -11.9083
18 C2b C 2.0458 -12.3334
19 C1b C 2.7792 -11.9042
20 C1b C 3.5125 -12.3292
21 C2c C 4.2500 -11.9000
22 C2b C 4.9833 -12.3208
23 C1b C 5.7167 -11.8958
24 C1b C 6.4542 -12.3167
25 C2c C 7.1875 -11.8917
26 C1a C -1.6334 -11.0667
27 C1a C 1.3041 -11.0583
28 C1a C 4.2458 -11.0500
29 C1a C 7.1833 -11.0417
BOND 28
1 2 5 2
2 3 6 1
3 11 10 1
4 6 7 1
5 6 8 1
6 6 9 2
7 1 2 1
8 2 3 1
9 2 4 1
10 10 1 1
11 17 18 2
12 18 19 1
13 19 20 1
14 20 21 1
15 21 22 2
16 12 13 1
17 22 23 1
18 23 24 1
19 13 14 2
20 24 25 1
21 14 15 1
22 13 26 1
23 15 16 1
24 17 27 1
25 21 28 1
26 16 17 1
27 25 29 1
28 25 11 2
