ALIGN 29
1 1:C8y 1:C8y #M1 #M2
2 2:N4y 2:N5x #R1
3 3:C8y 3:C8y #M3
4 4:N5x 4:N1b #R2 #M4
5 5:C8x 5:C8x #M1
6 7:N4x 6:N5x #R3
7 8:C1b 7:C1b
8 9:C8y 8:C5a #R4 #M2
9 10:C8y 9:C8y #M3
10 12:C8y 10:C8y
11 13:C1b 11:C1b #M4
12 14:C8y 12:C8y
13 15:C8x 13:C8x
14 16:C8x 14:C8x
15 17:C8y 15:C8y
16 18:C8x 16:C8x
17 19:C8x 17:C8x
18 20:C8x 18:C8x
19 21:C8x 19:C8x
20 22:C8x 20:C8x
21 23:C8x 21:C8x
22 24:C8x 22:C8x
23 25:C8x 23:C8x
24 26:C8x 24:C8x
25 27:C8x 25:C8x
26 28:C8x 26:C8x
27 29:C8y 27:C8y
28 30:C8x 28:C8x
29 31:O1a 29:O1a
- 6:C8y * #D1 #D4
- * 30:O5a #D4
ENTRY1
COMPOUND
C00982
ATOM 31
1 C8y C 21.8397 -16.2050
2 N4y N 20.6547 -15.5279
3 C8y C 21.8221 -17.5650
4 N5x N 23.0304 -15.5103
5 C8x C 19.4755 -16.2225
6 C8y C 20.6838 -14.1212
7 N4x N 20.6664 -18.2598
8 C1b C 23.0130 -18.2481
9 C8y C 23.0246 -14.1386
10 C8y C 19.4755 -17.5767
11 O5x O 19.7323 -13.1346
12 C8y C 24.1862 -17.5593
13 C1b C 23.9526 -13.1871
14 C8y C 18.2965 -18.2655
15 C8x C 25.3712 -18.2422
16 C8x C 24.1862 -16.1991
17 C8y C 25.3478 -13.1871
18 C8x C 18.2965 -19.6490
19 C8x C 17.0999 -17.5767
20 C8x C 26.5619 -17.5650
21 C8x C 25.3595 -15.5103
22 C8x C 26.0250 -14.3780
23 C8x C 26.0483 -12.0198
24 C8x C 17.0999 -20.3436
25 C8x C 15.9149 -18.2655
26 C8x C 26.5502 -16.1874
27 C8x C 27.3909 -14.4014
28 C8x C 27.4142 -12.0315
29 C8y C 15.9149 -19.6490
30 C8x C 28.0797 -13.2105
31 O1a O 14.7299 -20.3262
BOND 35
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 2
10 6 11 2
11 8 12 1
12 9 13 1
13 10 14 1
14 12 15 1
15 12 16 2
16 13 17 1
17 14 18 2
18 14 19 1
19 15 20 2
20 16 21 1
21 17 22 1
22 17 23 2
23 18 24 1
24 19 25 2
25 20 26 1
26 22 27 2
27 23 28 1
28 24 29 2
29 27 30 1
30 29 31 1
31 6 9 1
32 7 10 1
33 21 26 2
34 25 29 1
35 28 30 2
ENTRY2
COMPOUND
C03717
ATOM 30
1 C8y C 21.8383 -15.6147
2 N5x N 20.6344 -14.9268
3 C8y C 21.8205 -16.9964
4 N1b N 23.0480 -14.9089
5 C8x C 19.4364 -15.6325
6 N5x N 20.6463 -17.7023
7 C1b C 23.0304 -17.6904
8 C5a C 23.0422 -13.5153
9 C8y C 19.4364 -17.0083
10 C8y C 24.2223 -16.9906
11 C1b C 23.9850 -12.5486
12 C8y C 18.2386 -17.7081
13 C8x C 25.4262 -17.6844
14 C8x C 24.2223 -15.6087
15 C8y C 25.4024 -12.5486
16 C8x C 18.2386 -19.1137
17 C8x C 17.0228 -17.0083
18 C8x C 26.6359 -16.9964
19 C8x C 25.4143 -14.9089
20 C8x C 26.0905 -13.7585
21 C8x C 26.1141 -11.3627
22 C8x C 17.0228 -19.8194
23 C8x C 15.8189 -17.7081
24 C8x C 26.6240 -15.5968
25 C8x C 27.4782 -13.7823
26 C8x C 27.5018 -11.3746
27 C8y C 15.8189 -19.1137
28 C8x C 28.1780 -12.5724
29 O1a O 14.6150 -19.8017
30 O5a O 21.7289 -12.9842
BOND 33
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 7 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 10 14 2
14 11 15 1
15 12 16 2
16 12 17 1
17 13 18 2
18 14 19 1
19 15 20 1
20 15 21 2
21 16 22 1
22 17 23 2
23 18 24 1
24 20 25 2
25 21 26 1
26 22 27 2
27 25 28 1
28 27 29 1
29 6 9 1
30 19 24 2
31 23 27 1
32 26 28 2
33 8 30 2
