ALIGN 1
1 1:O0 55:O1a #R1
- * 52:C1d #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C01011
ATOM 57
1 N4y N 20.7571 -13.7898
2 C1y C 19.2763 -14.7917
3 C8y C 22.9878 -13.7898
4 C8x C 20.7571 -12.4979
5 C1y C 18.8918 -15.9891
6 O2x O 18.2239 -14.0292
7 C8y C 22.9878 -12.4979
8 N5x N 24.1669 -14.4389
9 N5x N 21.8726 -11.8488
10 C1y C 17.5874 -15.9891
11 O1a O 19.6418 -17.0225
12 C1y C 17.1841 -14.7727
13 C8y C 24.0969 -11.8614
14 C8x C 25.2124 -13.7898
15 O2b O 16.8438 -16.9525
16 C1b C 15.9869 -14.4010
17 N5x N 25.2124 -12.4979
18 N1a N 24.0907 -10.5886
19 P1b P 15.5772 -16.9664
20 O2b O 14.2477 -15.2265
21 O1c O 15.6081 -15.6165
22 O1c O 14.3296 -16.9278
23 O1c O 15.6410 -18.1756
24 P1b P 12.2123 -15.2455
25 O2c O 12.1997 -18.0243
26 O1c O 12.1485 -13.7457
27 O1c O 10.9267 -15.2265
28 P1b P 12.2059 -20.8251
29 O2b O 13.5292 -20.8699
30 O1c O 12.1485 -22.2891
31 O1c O 10.9205 -20.8761
32 C1b C 14.6320 -20.1634
33 C1d C 15.7347 -20.7999
34 C1c C 16.8376 -20.1634
35 C1a C 15.7347 -22.0791
36 C1a C 15.7221 -19.5346
37 C5a C 17.9467 -20.7999
38 O1a O 16.8376 -19.0304
39 N1b N 19.3778 -20.2390
40 O5a O 17.9467 -22.0791
41 C1b C 20.4869 -20.8817
42 C1b C 21.5898 -20.2390
43 C5a C 22.6925 -20.8817
44 N1b N 24.0517 -20.2390
45 O5a O 22.6925 -22.1546
46 C1b C 25.1544 -20.8817
47 C1b C 26.2572 -20.2390
48 S2a S 27.3599 -20.8817
49 C5a C 28.4690 -20.2390
50 C1b C 29.5718 -20.8753
51 O5a O 28.4690 -19.1060
52 C1d C 30.6745 -20.2390
53 C6a C 31.9537 -20.2390
54 C1a C 30.6745 -19.1060
55 O1a O 30.6745 -21.8487
56 O6a O 32.7238 -19.2762
57 O6a O 32.7938 -21.2781
BOND 59
1 2 1 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1
13 8 14 2
14 10 15 1 #Down
15 12 16 1 #Up
16 13 17 2
17 13 18 1
18 15 19 1
19 16 20 1
20 19 21 1
21 19 22 1
22 19 23 2
23 20 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 28 29 1
29 28 30 1
30 28 31 2
31 29 32 1
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 1
36 34 37 1
37 34 38 1
38 37 39 1
39 37 40 2
40 39 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 43 45 2
45 44 46 1
46 46 47 1
47 47 48 1
48 48 49 1
49 49 50 1
50 49 51 2
51 52 50 1 #Up
52 52 53 1
53 52 54 1 #Down
54 52 55 1
55 53 56 1
56 53 57 2
57 7 9 1
58 10 12 1
59 14 17 1
