ALIGN 24
1 1:C1b 7:C1b
2 2:O2b 3:O2b
3 3:C2b 11:C2b
4 4:P1b 1:P1b
5 5:C2c 13:C2c
6 6:O2c 2:O2c
7 7:O1c 4:O1c
8 8:O1c 5:O1c
9 9:C1b 17:C1b
10 10:C1a 18:C1a
11 11:P1b 6:P1b #M1
12 12:C1b 19:C1b
13 13:O1c 8:O2c #R1
14 14:O1c 9:O1c
15 15:O1c 10:O1c
16 16:C2b 20:C2b
17 17:C2c 21:C2c
18 18:C1b 22:C1b
19 19:C1a 23:C1a
20 20:C1b 24:C1b
21 21:C2b 25:C2b
22 22:C2c 26:C2c
23 23:C1a 27:C1a
24 24:C1a 28:C1a
- * 12:P1b #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
C03115
ATOM 28
1 P1b P 22.9229 -15.3683
2 O2c O 24.2949 -15.3683
3 O2b O 21.5313 -15.3747
4 O1c O 22.9229 -13.9704
5 O1c O 22.9164 -16.7726
6 P1b P 25.6929 -15.3683
7 C1b C 20.3202 -14.6145
8 O2c O 27.0972 -15.3683
9 O1c O 25.6929 -13.9704
10 O1c O 25.6865 -16.7726
11 C2b C 19.0834 -15.2716
12 P1b P 28.4951 -15.4318
13 C2c C 17.8981 -14.5308
14 O1c O 29.8231 -15.4318
15 O1c O 28.4888 -14.0338
16 O1c O 28.5017 -16.8297
17 C1b C 16.7311 -15.1879
18 C1a C 17.9109 -13.1771
19 C1b C 15.5394 -14.4471
20 C2b C 14.3025 -15.1805
21 C2c C 13.1171 -14.4398
22 C1b C 11.8804 -15.0968
23 C1a C 13.1108 -13.0611
24 C1b C 10.6950 -14.3559
25 C2b C 9.4581 -15.0831
26 C2c C 8.2664 -14.4122
27 C1a C 7.0294 -15.0692
28 C1a C 8.2479 -13.0842
BOND 27
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 8 12 1
12 11 13 2
13 12 14 1
14 12 15 1
15 12 16 2
16 13 17 1
17 13 18 1
18 17 19 1
19 19 20 1
20 20 21 2
21 21 22 1
22 21 23 1
23 22 24 1
24 24 25 1
25 25 26 2
26 26 27 1
27 26 28 1
