ALIGN 1
1 1:O0 54:O1a #R1
- * 53:C1b #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C11062
ATOM 54
1 N4y N 15.8135 -12.6826
2 C1y C 14.9300 -13.2853
3 C8y C 17.1520 -12.6826
4 C8x C 15.8135 -11.9165
5 C1y C 14.6930 -13.9976
6 O2x O 14.2916 -12.8263
7 C8y C 17.1520 -11.9165
8 N5x N 17.8123 -13.0675
9 N5x N 16.4807 -11.5278
10 C1y C 13.9177 -13.9976
11 O1a O 15.1423 -14.6237
12 C1y C 13.6669 -13.2743
13 C8y C 17.8123 -11.5306
14 C8x C 18.4794 -12.6826
15 O2b O 13.4642 -14.6237
16 C1b C 12.9621 -13.0442
17 N5x N 18.4794 -11.9165
18 N1a N 17.8123 -10.7785
19 P1b P 12.7128 -14.5483
20 O2b O 11.9156 -13.5442
21 O1c O 12.7720 -13.8196
22 O1c O 11.9677 -14.5607
23 O1c O 12.7100 -15.3127
24 P1b P 10.6918 -13.5552
25 O2c O 10.6889 -15.2210
26 O1c O 10.6861 -12.8086
27 O1c O 9.9312 -13.5442
28 P1b P 10.6889 -16.7306
29 O2b O 11.4903 -16.7142
30 O1c O 10.7030 -17.4827
31 O1c O 9.9283 -16.7196
32 C1b C 12.1439 -16.3347
33 C1d C 12.8044 -16.7142
34 C1c C 13.4642 -16.3292
35 C1a C 12.8044 -17.4827
36 C1a C 12.8015 -15.8757
37 C5a C 14.1313 -16.7142
38 O1a O 13.4587 -15.5703
39 N1b N 14.7861 -16.3292
40 O5a O 14.1313 -17.4827
41 C1b C 15.4519 -16.7142
42 C1b C 16.1067 -16.3292
43 C5a C 16.7725 -16.7142
44 N1b N 17.4396 -16.3292
45 O5a O 16.7725 -17.4827
46 C1b C 18.0944 -16.7142
47 C1b C 18.7547 -16.3292
48 S2a S 19.4150 -16.7142
49 C5a C 20.0808 -16.3292
50 C1b C 20.7411 -16.7142
51 O5a O 20.0808 -15.5703
52 C1b C 21.3917 -16.3292
53 C1b C 22.0575 -16.7142
54 O1a O 22.7238 -16.3301
BOND 56
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 50 52 1
52 52 53 1
53 7 9 1
54 10 12 1
55 14 17 1
56 53 54 1
