ALIGN 10
1 1:C1c 39:C1c #M1
2 2:C1b 40:C1b
3 3:C6a 46:C6a
4 4:N1a 38:N1b #R1
5 5:C1b 41:C1b
6 6:O6a 48:O6a
7 7:O6a 47:O6a
8 8:C6a 42:C6a
9 9:O6a 50:O6a
10 10:O6a 49:O6a
- * 37:C5a #D1
ENTRY1
COMPOUND
C00025
ATOM 10
1 C1c C 23.8372 -17.4608
2 C1b C 25.0252 -16.7233
3 C6a C 22.6023 -16.7994
4 N1a N 23.8781 -18.8595
5 C1b C 26.2601 -17.3788
6 O6a O 21.4434 -17.5954
7 O6a O 22.6198 -15.4007
8 C6a C 27.4482 -16.6414
9 O6a O 28.6830 -17.3028
10 O6a O 27.4714 -15.2426
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2
ENTRY2
COMPOUND
C00876
ATOM 53
1 C8x C 21.9833 -20.4771
2 C8y C 21.9833 -21.8803
3 C8x C 23.2014 -22.5820
4 C8x C 23.2014 -19.7754
5 C8y C 24.4125 -20.4771
6 C8y C 24.4067 -21.8803
7 N4y N 25.6188 -22.5871
8 C8x C 25.6308 -19.7807
9 C8y C 26.8430 -20.4876
10 C8y C 26.8303 -21.8870
11 N5x N 28.0361 -22.5977
12 C8y C 29.3245 -21.9090
13 N4x N 29.2672 -20.5094
14 C8y C 28.0615 -19.7987
15 O1a O 20.7685 -22.5827
16 O5x O 28.0741 -18.3957
17 O5x O 30.4633 -22.6217
18 C1b C 25.5862 -23.9707
19 C1c C 26.8007 -24.6713
20 C1c C 26.8012 -26.0734
21 C1c C 28.0157 -26.7742
22 C1b C 28.0162 -28.1764
23 O2b O 29.2306 -28.8770
24 O1a O 27.9971 -23.9800
25 O1a O 29.2471 -26.0624
26 O1a O 25.5694 -26.7854
27 P1b P 30.6327 -28.8770
28 O2b O 32.0348 -28.8770
29 O1c O 30.6327 -27.4761
30 O1c O 30.6327 -30.2802
31 C1c C 33.2496 -28.1772
32 C5a C 34.4641 -28.8782
33 N1b N 35.6783 -28.1772
34 C1c C 36.8926 -28.8782
35 C1b C 38.1069 -28.1772
36 C1b C 39.3212 -28.8782
37 C5a C 40.5354 -28.1772
38 N1b N 41.7496 -28.8782
39 C1c C 42.9640 -28.1772
40 C1b C 44.1783 -28.8782
41 C1b C 45.3818 -28.1834
42 C6a C 46.5736 -28.8716
43 C1a C 33.2503 -26.7752
44 O5a O 34.4641 -30.2800
45 O5a O 40.5354 -26.7751
46 C6a C 42.9640 -26.7750
47 O6a O 41.7557 -26.0774
48 O6a O 44.1843 -26.0703
49 O6a O 46.5738 -30.2800
50 O6a O 47.7485 -28.1936
51 C6a C 36.8926 -30.2801
52 O6a O 35.7010 -30.9678
53 O6a O 38.1025 -30.9787
BOND 55
1 9 10 1
2 10 11 2
3 11 12 1
4 12 13 1
5 13 14 1
6 14 9 1
7 5 6 2
8 2 15 1
9 6 7 1
10 14 16 2
11 7 10 1
12 12 17 2
13 9 8 2
14 8 5 1
15 5 4 1
16 4 1 2
17 1 2 1
18 2 3 2
19 3 6 1
20 7 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 24 1 #Down
27 21 25 1 #Down
28 20 26 1 #Up
29 23 27 1
30 27 28 1
31 27 29 2
32 27 30 1
33 28 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 31 43 1 #Up
46 32 44 2
47 37 45 2
48 39 46 1 #Down
49 46 47 2
50 46 48 1
51 42 49 2
52 42 50 1
53 34 51 1 #Up
54 51 52 2
55 51 53 1
