ALIGN 1
1 1:O0 35:O1a #R1
- 2:O0 * #D1
- * 30:C1y #D1
ENTRY1
COMPOUND
C00007
ATOM 2
1 O0 O 24.3446 -17.0048
2 O0 O 25.7446 -17.0048
BOND 1
1 1 2 2
ENTRY2
COMPOUND
C18642
ATOM 39
1 C1y C 26.5722 -21.9109
2 C1y C 26.5722 -23.2836
3 C1y C 27.7390 -23.9699
4 C1x C 28.9744 -23.2836
5 C1y C 28.9744 -21.9109
6 O2x O 27.7390 -21.2246
7 C1a C 25.4054 -21.2246
8 O1a O 25.4054 -23.9699
9 N1c N 27.7390 -25.3426
10 C1a C 26.5722 -26.0289
11 C1a C 28.9058 -26.0289
12 O2a O 30.1412 -21.2246
13 C8x C 21.8365 -16.4888
14 C8x C 21.8365 -17.8615
15 C8y C 23.0033 -18.5479
16 C8y C 24.2387 -17.8615
17 C8y C 24.2387 -16.4888
18 C8x C 23.0033 -15.8025
19 C5x C 25.4054 -18.5479
20 C8y C 26.5722 -17.8615
21 C8y C 26.5722 -16.4888
22 C5x C 25.4054 -15.8025
23 C8y C 27.8076 -18.5479
24 C8y C 28.9744 -17.8615
25 C8y C 28.9744 -16.4888
26 C8y C 27.8076 -15.8025
27 C1y C 30.1412 -18.5479
28 C1x C 31.3766 -17.8615
29 C1z C 31.3766 -16.4888
30 C1y C 30.1412 -15.8025
31 O5x O 25.4054 -14.4298
32 O5x O 25.4054 -19.9205
33 O1a O 23.0033 -19.9205
34 O1a O 27.8076 -19.9205
35 O1a O 30.1412 -14.4298
36 O1a O 32.5434 -17.1752
37 C1b C 32.5434 -15.8025
38 C1a C 32.5434 -14.4298
39 O1a O 27.8244 -14.4204
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Down
8 2 8 1 #Down
9 3 9 1 #Down
10 9 10 1
11 9 11 1
12 5 12 1 #Up
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 13 18 2
19 16 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 17 22 1
24 20 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 24 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 25 30 1
34 22 31 2
35 19 32 2
36 15 33 1
37 23 34 1
38 27 12 1 #Down
39 30 35 1 #Up
40 29 36 1 #Down
41 29 37 1 #Up
42 37 38 1
43 26 39 1
