ALIGN 26
1 1:C8y 1:C8y
2 2:C8y 2:C8y
3 3:C8y 3:C8y
4 4:C8x 4:C8x
5 5:C8y 5:C8y
6 6:C8y 6:C8y #M1
7 7:C8y 7:C8y
8 8:N1y 8:N1y
9 9:C8x 9:C8x
10 10:C1x 10:C1x
11 11:C8x 11:C8x
12 12:O2a 12:O1a #R1
13 13:C8y 13:C8y
14 14:C8x 14:C8x
15 15:C1a 15:C1a
16 17:C8x 16:C8x
17 18:C8y 17:C8y
18 19:C8y 18:C8y
19 20:O2x 19:O2x
20 21:O2x 20:O2x
21 22:C1x 21:C1x
22 23:C8y 22:C8y
23 24:C8y 23:C8y
24 25:O2x 24:O2x
25 26:C1x 25:C1x
26 27:O2x 26:O2x
- 16:C1a * #D1
ENTRY1
COMPOUND
C05194
ATOM 27
1 C8y C 15.6523 -13.4814
2 C8y C 14.9386 -13.8922
3 C8y C 16.3701 -13.9076
4 C8x C 15.6663 -12.6598
5 C8y C 14.9232 -14.7152
6 C8y C 14.2222 -13.4674
7 C8y C 17.0838 -13.5038
8 N1y N 16.3631 -14.7362
9 C8x C 16.3855 -12.2560
10 C1x C 15.6411 -15.1414
11 C8x C 13.5015 -13.8852
12 O2a O 14.2277 -12.6444
13 C8y C 17.0978 -12.6766
14 C8x C 17.7877 -13.9230
15 C1a C 17.0809 -15.1485
16 C1a C 13.5099 -12.2307
17 C8x C 17.8101 -12.2784
18 C8y C 18.5055 -13.5136
19 C8y C 18.5195 -12.6906
20 O2x O 19.2809 -13.7829
21 O2x O 19.3033 -12.4551
22 C1x C 19.7772 -13.1253
23 C8y C 14.2072 -15.1365
24 C8y C 13.4945 -14.7138
25 O2x O 12.8722 -15.2610
26 C1x C 13.2004 -16.0218
27 O2x O 14.0254 -15.9449
BOND 32
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 2
5 5 23 1
6 5 10 1
7 6 11 2
8 6 12 1
9 7 13 2
10 7 14 1
11 8 15 1
12 12 16 1
13 13 17 1
14 14 18 2
15 17 19 2
16 18 20 1
17 19 21 1
18 20 22 1
19 8 10 1
20 9 13 1
21 11 24 1
22 18 19 1
23 21 22 1
24 1 2 1
25 1 3 2
26 1 4 1
27 2 5 2
28 23 24 2
29 24 25 1
30 25 26 1
31 26 27 1
32 27 23 1
ENTRY2
COMPOUND
C05247
ATOM 26
1 C8y C 15.6523 -13.8855
2 C8y C 14.9386 -14.2964
3 C8y C 16.3701 -14.3118
4 C8x C 15.6663 -13.0640
5 C8y C 14.9232 -15.1194
6 C8y C 14.2222 -13.8716
7 C8y C 17.0838 -13.9080
8 N1y N 16.3631 -15.1404
9 C8x C 16.3855 -12.6602
10 C1x C 15.6411 -15.5456
11 C8x C 13.5015 -14.2893
12 O1a O 14.2277 -13.0486
13 C8y C 17.0978 -13.0808
14 C8x C 17.7877 -14.3272
15 C1a C 17.0809 -15.5526
16 C8x C 17.8101 -12.6826
17 C8y C 18.5055 -13.9178
18 C8y C 18.5195 -13.0948
19 O2x O 19.2809 -14.1870
20 O2x O 19.3033 -12.8593
21 C1x C 19.7772 -13.5295
22 C8y C 14.2072 -15.5406
23 C8y C 13.4945 -15.1179
24 O2x O 12.8722 -15.6652
25 C1x C 13.2004 -16.4260
26 O2x O 14.0254 -16.3491
BOND 31
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 2
5 5 22 1
6 5 10 1
7 6 11 2
8 6 12 1
9 7 13 2
10 7 14 1
11 8 15 1
12 13 16 1
13 14 17 2
14 16 18 2
15 17 19 1
16 18 20 1
17 19 21 1
18 8 10 1
19 9 13 1
20 11 23 1
21 17 18 1
22 20 21 1
23 1 2 1
24 1 3 2
25 1 4 1
26 2 5 2
27 22 23 2
28 23 24 1
29 24 25 1
30 25 26 1
31 26 22 1
