ALIGN 40
1 14:C1b 10:C1b #R1
2 15:C2b 11:C2b #M1
3 16:C2c 12:C2c
4 17:C1b 13:C1b
5 18:C1b 14:C1b
6 19:C2b 15:C2b
7 20:C2c 16:C2c
8 21:C1b 17:C1b
9 22:C1b 18:C1b
10 23:C2b 19:C2b
11 24:C2c 20:C2c
12 25:C1b 21:C1b
13 26:C1b 22:C1b
14 27:C2b 23:C2b
15 28:C2c 24:C2c
16 29:C1b 25:C1b
17 30:C1b 26:C1b
18 31:C2b 27:C2b
19 32:C2c 28:C2c
20 33:C1b 29:C1b
21 34:C1b 30:C1b
22 35:C2b 31:C2b
23 36:C2c 32:C2c
24 37:C1b 33:C1b
25 38:C1b 34:C1b
26 39:C2b 35:C2b
27 40:C2c 36:C2c
28 41:C1b 37:C1b
29 42:C1b 38:C1b
30 43:C2b 39:C2b
31 44:C2c 40:C2c
32 45:C1a 41:C1a
33 47:C1a 42:C1a
34 48:C1a 43:C1a
35 49:C1a 44:C1a
36 50:C1a 45:C1a
37 51:C1a 46:C1a
38 52:C1a 47:C1a
39 53:C1a 48:C1a
40 54:C1a 49:C1a
- 13:C1b * #D1
- * 1:O2b #D1
ENTRY1
COMPOUND
C04145
ATOM 54
1 O2b O 8.4000 -13.7900
2 P1b P 6.8600 -13.8600
3 O2c O 5.5300 -13.8600
4 O1c O 6.8600 -12.4600
5 O1c O 6.8600 -15.2600
6 P1b P 4.1300 -13.8600
7 O1c O 2.7300 -13.8600
8 O1c O 4.1300 -12.4600
9 O1c O 4.1300 -15.2600
10 C1b C 9.6124 -13.0900
11 C2b C 10.8249 -13.7900
12 C2c C 12.0373 -13.0900
13 C1b C 13.2497 -13.7900
14 C1b C 14.4622 -13.0900
15 C2b C 15.6746 -13.7900
16 C2c C 16.8870 -13.0900
17 C1b C 18.0995 -13.7900
18 C1b C 19.3119 -13.0900
19 C2b C 20.5244 -13.7900
20 C2c C 21.7368 -13.0900
21 C1b C 22.9492 -13.7900
22 C1b C 24.1617 -13.0900
23 C2b C 25.3741 -13.7900
24 C2c C 26.5865 -13.0900
25 C1b C 27.7990 -13.7900
26 C1b C 29.0114 -13.0900
27 C2b C 30.2238 -13.7900
28 C2c C 31.4363 -13.0900
29 C1b C 32.6487 -13.7900
30 C1b C 33.8611 -13.0900
31 C2b C 35.0736 -13.7900
32 C2c C 36.2860 -13.0900
33 C1b C 37.4985 -13.7900
34 C1b C 38.7109 -13.0900
35 C2b C 39.9233 -13.7900
36 C2c C 41.1358 -13.0900
37 C1b C 42.3482 -13.7900
38 C1b C 43.5606 -13.0900
39 C2b C 44.7731 -13.7900
40 C2c C 45.9855 -13.0900
41 C1b C 47.1979 -13.7900
42 C1b C 48.4104 -13.0900
43 C2b C 49.6228 -13.7900
44 C2c C 50.8352 -13.0900
45 C1a C 52.0477 -13.7900
46 C1a C 12.0373 -11.6900
47 C1a C 16.8870 -11.6901
48 C1a C 21.7368 -11.6904
49 C1a C 26.5865 -11.6901
50 C1a C 31.4363 -11.6900
51 C1a C 36.2860 -11.6902
52 C1a C 41.1358 -11.6902
53 C1a C 45.9855 -11.6900
54 C1a C 50.8352 -11.6901
BOND 53
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 6 7 1
7 6 8 1
8 6 9 2
9 1 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 2
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 2
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 2
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 2
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 2
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 2
44 44 45 1
45 12 46 1
46 16 47 1
47 20 48 1
48 24 49 1
49 28 50 1
50 32 51 1
51 36 52 1
52 40 53 1
53 44 54 1
ENTRY2
COMPOUND
C04146
ATOM 49
1 O2b O 17.6320 -9.5769
2 P1b P 16.0935 -9.6468
3 O2c O 14.7648 -9.6468
4 O1c O 16.0935 -8.2482
5 O1c O 16.0935 -11.0455
6 P1b P 13.3661 -9.6468
7 O1c O 11.9674 -9.6468
8 O1c O 13.3661 -8.2482
9 O1c O 13.3661 -11.0455
10 C1b C 18.8433 -8.8776
11 C2b C 20.0546 -9.5769
12 C2c C 21.2659 -8.8776
13 C1b C 22.4771 -9.5769
14 C1b C 23.6885 -8.8776
15 C2b C 24.8997 -9.5769
16 C2c C 26.1110 -8.8776
17 C1b C 27.3223 -9.5769
18 C1b C 28.5336 -8.8776
19 C2b C 29.7449 -9.5769
20 C2c C 30.9562 -8.8776
21 C1b C 32.1674 -9.5769
22 C1b C 33.3788 -8.8776
23 C2b C 34.5900 -9.5769
24 C2c C 35.8013 -8.8776
25 C1b C 37.0126 -9.5769
26 C1b C 38.2239 -8.8776
27 C2b C 39.4351 -9.5769
28 C2c C 40.6465 -8.8776
29 C1b C 41.8577 -9.5769
30 C1b C 43.0690 -8.8776
31 C2b C 44.2803 -9.5769
32 C2c C 45.4916 -8.8776
33 C1b C 46.7029 -9.5769
34 C1b C 47.9142 -8.8776
35 C2b C 49.1254 -9.5769
36 C2c C 50.3367 -8.8776
37 C1b C 51.5480 -9.5769
38 C1b C 52.7592 -8.8776
39 C2b C 53.9706 -9.5769
40 C2c C 55.1818 -8.8776
41 C1a C 56.3931 -9.5769
42 C1a C 21.2659 -7.4789
43 C1a C 26.1110 -7.4790
44 C1a C 30.9562 -7.4793
45 C1a C 35.8013 -7.4790
46 C1a C 40.6465 -7.4789
47 C1a C 45.4916 -7.4791
48 C1a C 50.3367 -7.4791
49 C1a C 55.1818 -7.4789
BOND 48
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 6 7 1
7 6 8 1
8 6 9 2
9 1 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 2
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 2
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 2
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 2
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 2
40 40 41 1
41 12 42 1
42 16 43 1
43 20 44 1
44 24 45 1
45 28 46 1
46 32 47 1
47 36 48 1
48 40 49 1
