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cdk19_ic50.mol2
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cdk19_ic50.mol2
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# Mol2 written by MVD (www.molegro.com)
@<TRIPOS>MOLECULE
692703
38 41 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -0.6300 1.6390 0.7760 C.2 1 LIG1 0.0000
2 C2 -1.6590 1.3450 1.6840 C.2 1 LIG1 0.0000
3 N1 -2.6460 0.4850 1.3280 N.2 1 LIG1 0.0000
4 C3 -2.6890 -0.1250 0.1170 C.2 1 LIG1 0.0000
5 C4 -1.6810 0.1270 -0.8270 C.2 1 LIG1 0.0000
6 C5 -0.6470 1.0230 -0.4940 C.2 1 LIG1 0.0000
7 C6 0.4020 1.3270 -1.3750 C.2 1 LIG1 0.0000
8 C7 1.3760 2.2750 -1.0860 C.2 1 LIG1 0.0000
9 C8 1.3360 3.0360 0.1950 C.3 1 LIG1 0.0000
10 O1 0.4060 2.4610 1.1440 O.3 1 LIG1 0.0000
11 N2 0.6650 0.7970 -2.5760 N.pl3 1 LIG1 0.0000
12 C9 1.7920 1.3310 -3.0770 C.2 1 LIG1 0.0000
13 C10 2.2520 2.3010 -2.1750 C.2 1 LIG1 0.0000
14 C11 0.8640 4.4860 -0.0200 C.3 1 LIG1 0.0000
15 C12 2.7050 3.0420 0.8990 C.3 1 LIG1 0.0000
16 C13 2.3680 0.9050 -4.2870 C.2 1 LIG1 0.0000
17 N3 1.7680 -0.0340 -5.0320 N.am 1 LIG1 0.0000
18 O2 3.4580 1.3510 -4.7030 O.2 1 LIG1 0.0000
19 C14 3.4570 3.1350 -2.3130 C.3 1 LIG1 0.0000
20 C15 3.8750 3.8810 -3.5880 C.3 1 LIG1 0.0000
21 C16 3.3500 4.6640 -2.3910 C.3 1 LIG1 0.0000
22 H1 -1.6620 1.7700 2.6120 H 1 LIG1 0.0000
23 H2 -3.4510 -0.7660 -0.1050 H 1 LIG1 0.0000
24 H3 -1.7090 -0.3330 -1.7380 H 1 LIG1 0.0000
25 H4 0.1430 0.0990 -3.0000 H 1 LIG1 0.0000
26 H5 0.6730 4.9490 0.9490 H 1 LIG1 0.0000
27 H6 1.6270 5.0670 -0.5310 H 1 LIG1 0.0000
28 H7 -0.0580 4.5010 -0.6030 H 1 LIG1 0.0000
29 H8 2.6060 3.5120 1.8780 H 1 LIG1 0.0000
30 H9 3.0600 2.0200 1.0340 H 1 LIG1 0.0000
31 H10 3.4340 3.6040 0.3160 H 1 LIG1 0.0000
32 H11 2.1830 -0.3240 -5.8580 H 1 LIG1 0.0000
33 H12 0.9260 -0.4200 -4.7500 H 1 LIG1 0.0000
34 H13 4.2340 2.7020 -1.6820 H 1 LIG1 0.0000
35 H14 4.9290 3.9370 -3.8600 H 1 LIG1 0.0000
36 H15 3.2710 3.8470 -4.4940 H 1 LIG1 0.0000
37 H16 4.0260 5.2910 -1.8100 H 1 LIG1 0.0000
38 H17 2.4020 5.1820 -2.5310 H 1 LIG1 0.0000
@<TRIPOS>BOND
1 1 2 2
2 1 6 1
3 1 10 1
4 2 3 1
5 2 22 1
6 3 4 2
7 4 5 1
8 4 23 1
9 5 6 2
10 5 24 1
11 6 7 1
12 7 8 2
13 7 11 1
14 8 9 1
15 8 13 1
16 9 10 1
17 9 14 1
18 9 15 1
19 11 12 1
20 11 25 1
21 12 13 2
22 12 16 1
23 13 19 1
24 14 26 1
25 14 27 1
26 14 28 1
27 15 29 1
28 15 30 1
29 15 31 1
30 16 17 1
31 16 18 2
32 17 32 1
33 17 33 1
34 19 20 1
35 19 21 1
36 19 34 1
37 20 21 1
38 20 35 1
39 20 36 1
40 21 37 1
41 21 38 1
@<TRIPOS>SUBSTRUCTURE
1 LIG1 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778251
34 37 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 11.6910 -7.8410 2.8220 O.3 1 LIG2 0.0000
2 C1 7.5880 -6.3470 -0.0810 C.3 1 LIG2 0.0000
3 C2 7.1630 -7.4510 0.9310 C.3 1 LIG2 0.0000
4 C3 9.5380 -7.5080 1.7660 C.2 1 LIG2 0.0000
5 C4 8.2270 -7.9740 1.8220 C.2 1 LIG2 0.0000
6 C5 8.0690 -8.9630 2.7980 C.2 1 LIG2 0.0000
7 S1 9.5390 -9.3200 3.6460 S.3 1 LIG2 0.0000
8 C6 10.3680 -8.1360 2.6890 C.2 1 LIG2 0.0000
9 C7 12.4330 -8.5280 3.7300 C.2 1 LIG2 0.0000
10 C8 9.0090 -5.9530 -0.0260 C.2 1 LIG2 0.0000
11 C9 9.9200 -6.5140 0.8570 C.2 1 LIG2 0.0000
12 S2 11.5080 -5.8470 0.6820 S.3 1 LIG2 0.0000
13 N1 10.9280 -4.8490 -0.5490 N.2 1 LIG2 0.0000
14 C10 9.6220 -4.9970 -0.8220 C.2 1 LIG2 0.0000
15 C11 6.8800 -9.6370 3.1130 C.2 1 LIG2 0.0000
16 O2 5.8010 -9.4050 2.5250 O.2 1 LIG2 0.0000
17 N2 6.8770 -10.5680 4.0760 N.am 1 LIG2 0.0000
18 C12 13.0380 -9.7490 3.3740 C.2 1 LIG2 0.0000
19 C13 13.8190 -10.4490 4.3110 C.2 1 LIG2 0.0000
20 C14 14.0010 -9.9280 5.6040 C.2 1 LIG2 0.0000
21 C15 13.4050 -8.7050 5.9590 C.2 1 LIG2 0.0000
22 C16 12.6250 -8.0050 5.0220 C.2 1 LIG2 0.0000
23 H1 6.9790 -5.4610 0.1020 H 1 LIG2 0.0000
24 H2 7.3710 -6.7040 -1.0890 H 1 LIG2 0.0000
25 H3 6.7530 -8.2880 0.3620 H 1 LIG2 0.0000
26 H4 6.3650 -7.0450 1.5550 H 1 LIG2 0.0000
27 H5 9.1340 -4.4620 -1.5400 H 1 LIG2 0.0000
28 H6 6.0530 -11.0320 4.2910 H 1 LIG2 0.0000
29 H7 7.6930 -10.7770 4.5550 H 1 LIG2 0.0000
30 H8 12.9090 -10.1270 2.4360 H 1 LIG2 0.0000
31 H9 14.2540 -11.3350 4.0520 H 1 LIG2 0.0000
32 H10 14.5670 -10.4360 6.2840 H 1 LIG2 0.0000
33 H11 13.5390 -8.3250 6.8970 H 1 LIG2 0.0000
34 H12 12.1950 -7.1160 5.2810 H 1 LIG2 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 23 1
6 2 24 1
7 3 5 1
8 3 25 1
9 3 26 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 27 1
25 15 16 2
26 15 17 1
27 17 28 1
28 17 29 1
29 18 19 1
30 18 30 1
31 19 20 2
32 19 31 1
33 20 21 1
34 20 32 1
35 21 22 2
36 21 33 1
37 22 34 1
@<TRIPOS>SUBSTRUCTURE
1 LIG2 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778697
40 43 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 10.7660 -6.3120 -2.5120 O.3 1 LIG3 0.0000
2 C1 7.6380 -8.6680 0.9740 C.3 1 LIG3 0.0000
3 C2 8.7850 -9.6280 0.5400 C.3 1 LIG3 0.0000
4 C3 9.6480 -7.8070 -0.9710 C.2 1 LIG3 0.0000
5 C4 9.7480 -9.0970 -0.4550 C.2 1 LIG3 0.0000
6 C5 10.8440 -9.7840 -0.9860 C.2 1 LIG3 0.0000
7 S1 11.7520 -8.8390 -2.1210 S.3 1 LIG3 0.0000
8 C6 10.6520 -7.5200 -1.8900 C.2 1 LIG3 0.0000
9 C7 11.5970 -6.1150 -3.5760 C.2 1 LIG3 0.0000
10 C8 7.6640 -7.3310 0.3500 C.2 1 LIG3 0.0000
11 C9 8.6240 -6.9400 -0.5710 C.2 1 LIG3 0.0000
12 S2 8.3870 -5.3180 -1.1270 S.3 1 LIG3 0.0000
13 N1 7.0300 -5.2000 -0.1320 N.2 1 LIG3 0.0000
14 C10 6.7600 -6.3050 0.5810 C.2 1 LIG3 0.0000
15 C11 11.2300 -11.0970 -0.6790 C.2 1 LIG3 0.0000
16 O2 10.6020 -11.8070 0.1370 O.2 1 LIG3 0.0000
17 N2 12.3080 -11.6300 -1.2680 N.am 1 LIG3 0.0000
18 C12 12.3700 -4.9420 -3.6110 C.2 1 LIG3 0.0000
19 C13 13.2190 -4.6760 -4.6970 C.2 1 LIG3 0.0000
20 C14 13.2820 -5.5900 -5.7630 C.2 1 LIG3 0.0000
21 N3 12.5110 -6.7080 -5.7080 N.2 1 LIG3 0.0000
22 C15 11.6820 -6.9940 -4.6730 C.2 1 LIG3 0.0000
23 N4 14.1060 -5.3110 -6.8030 N.am 1 LIG3 0.0000
24 C16 14.2910 -6.0690 -7.9110 C.2 1 LIG3 0.0000
25 C17 15.2220 -5.5860 -8.9300 C.3 1 LIG3 0.0000
26 O3 13.7030 -7.1570 -8.1050 O.2 1 LIG3 0.0000
27 H1 6.6850 -9.1400 0.7310 H 1 LIG3 0.0000
28 H2 7.6880 -8.5420 2.0570 H 1 LIG3 0.0000
29 H3 8.3290 -10.5290 0.1260 H 1 LIG3 0.0000
30 H4 9.3420 -9.9120 1.4340 H 1 LIG3 0.0000
31 H5 5.9720 -6.3800 1.2240 H 1 LIG3 0.0000
32 H6 12.5720 -12.5380 -1.0540 H 1 LIG3 0.0000
33 H7 12.8210 -11.1120 -1.9070 H 1 LIG3 0.0000
34 H8 12.3150 -4.2780 -2.8380 H 1 LIG3 0.0000
35 H9 13.7810 -3.8230 -4.7090 H 1 LIG3 0.0000
36 H10 11.1190 -7.8450 -4.6980 H 1 LIG3 0.0000
37 H11 14.6130 -4.4860 -6.7520 H 1 LIG3 0.0000
38 H12 15.2710 -6.2940 -9.7580 H 1 LIG3 0.0000
39 H13 14.8830 -4.6210 -9.3050 H 1 LIG3 0.0000
40 H14 16.2150 -5.4770 -8.4940 H 1 LIG3 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 27 1
6 2 28 1
7 3 5 1
8 3 29 1
9 3 30 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 31 1
25 15 16 2
26 15 17 1
27 17 32 1
28 17 33 1
29 18 19 1
30 18 34 1
31 19 20 2
32 19 35 1
33 20 21 1
34 20 23 1
35 21 22 2
36 22 36 1
37 23 24 1
38 23 37 1
39 24 25 1
40 24 26 2
41 25 38 1
42 25 39 1
43 25 40 1
@<TRIPOS>SUBSTRUCTURE
1 LIG3 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778253
36 39 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 8.5930 -6.9550 -3.9800 O.3 1 LIG4 0.0000
2 C1 6.3070 -8.2630 0.5520 C.3 1 LIG4 0.0000
3 C2 7.7750 -7.8050 0.7980 C.3 1 LIG4 0.0000
4 C3 8.0050 -7.4360 -1.6820 C.2 1 LIG4 0.0000
5 C4 8.5510 -7.4070 -0.4020 C.2 1 LIG4 0.0000
6 C5 9.8780 -6.9660 -0.4140 C.2 1 LIG4 0.0000
7 S1 10.4530 -6.5860 -2.0050 S.3 1 LIG4 0.0000
8 C6 8.9070 -7.0210 -2.6560 C.2 1 LIG4 0.0000
9 C7 9.5310 -6.5160 -4.8610 C.2 1 LIG4 0.0000
10 C8 5.8660 -8.2400 -0.8560 C.2 1 LIG4 0.0000
11 C9 6.6850 -7.8450 -1.9030 C.2 1 LIG4 0.0000
12 S2 5.8850 -7.9260 -3.4360 S.3 1 LIG4 0.0000
13 N1 4.4950 -8.4790 -2.6560 N.2 1 LIG4 0.0000
14 C10 4.6110 -8.6000 -1.3240 C.2 1 LIG4 0.0000
15 C11 10.7150 -6.8210 0.7030 C.2 1 LIG4 0.0000
16 O2 10.3350 -7.0850 1.8650 O.2 1 LIG4 0.0000
17 N2 11.9720 -6.3860 0.5420 N.am 1 LIG4 0.0000
18 C12 10.4500 -7.4170 -5.4280 C.2 1 LIG4 0.0000
19 C13 11.4060 -6.9690 -6.3530 C.2 1 LIG4 0.0000
20 C14 11.4230 -5.6110 -6.7050 C.2 1 LIG4 0.0000
21 N3 10.5210 -4.7630 -6.1500 N.2 1 LIG4 0.0000
22 C15 9.5830 -5.1620 -5.2520 C.2 1 LIG4 0.0000
23 C16 8.6420 -4.1790 -4.7050 C.3 1 LIG4 0.0000
24 H1 6.1980 -9.2810 0.9290 H 1 LIG4 0.0000
25 H2 5.6450 -7.6150 1.1290 H 1 LIG4 0.0000
26 H3 8.3040 -8.6230 1.2900 H 1 LIG4 0.0000
27 H4 7.7520 -6.9570 1.4840 H 1 LIG4 0.0000
28 H5 3.8540 -8.9220 -0.7210 H 1 LIG4 0.0000
29 H6 12.5470 -6.2870 1.3160 H 1 LIG4 0.0000
30 H7 12.3040 -6.1710 -0.3430 H 1 LIG4 0.0000
31 H8 10.4210 -8.4030 -5.1660 H 1 LIG4 0.0000
32 H9 12.0750 -7.6200 -6.7640 H 1 LIG4 0.0000
33 H10 12.1080 -5.2620 -7.3750 H 1 LIG4 0.0000
34 H11 8.8360 -3.1960 -5.1350 H 1 LIG4 0.0000
35 H12 7.6210 -4.4760 -4.9430 H 1 LIG4 0.0000
36 H13 8.7580 -4.1220 -3.6220 H 1 LIG4 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 24 1
6 2 25 1
7 3 5 1
8 3 26 1
9 3 27 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 28 1
25 15 16 2
26 15 17 1
27 17 29 1
28 17 30 1
29 18 19 1
30 18 31 1
31 19 20 2
32 19 32 1
33 20 21 1
34 20 33 1
35 21 22 2
36 22 23 1
37 23 34 1
38 23 35 1
39 23 36 1
@<TRIPOS>SUBSTRUCTURE
1 LIG4 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
692698
44 47 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -1.8500 2.3240 0.6560 C.2 1 LIG5 0.0000
2 C2 -0.8080 1.4030 0.8480 C.2 1 LIG5 0.0000
3 C3 0.5240 1.7570 0.5140 C.2 1 LIG5 0.0000
4 C4 0.7550 3.0640 0.0290 C.2 1 LIG5 0.0000
5 C5 -0.3190 3.9530 -0.1400 C.2 1 LIG5 0.0000
6 N1 -1.5760 3.5590 0.1730 N.2 1 LIG5 0.0000
7 O1 -1.1190 0.1590 1.3250 O.3 1 LIG5 0.0000
8 C6 -0.1320 -0.7210 1.9010 C.3 1 LIG5 0.0000
9 C7 1.2250 -0.4010 1.4010 C.2 1 LIG5 0.0000
10 C8 1.5410 0.7760 0.7250 C.2 1 LIG5 0.0000
11 C9 2.3920 -1.1210 1.5670 C.2 1 LIG5 0.0000
12 C10 3.4120 -0.4010 0.9560 C.2 1 LIG5 0.0000
13 N2 2.8710 0.7290 0.4220 N.pl3 1 LIG5 0.0000
14 C11 -0.1690 -0.5660 3.4380 C.3 1 LIG5 0.0000
15 C12 -1.5570 -0.9210 3.9960 C.3 1 LIG5 0.0000
16 C13 -1.9410 -2.3550 3.6060 C.3 1 LIG5 0.0000
17 C14 -1.9210 -2.5190 2.0790 C.3 1 LIG5 0.0000
18 C15 -0.5330 -2.1640 1.5200 C.3 1 LIG5 0.0000
19 C16 3.5990 1.6650 -0.3810 C.3 1 LIG5 0.0000
20 C17 4.2640 2.7400 0.4920 C.3 1 LIG5 0.0000
21 C18 4.7580 -0.8330 0.9420 C.2 1 LIG5 0.0000
22 N3 5.1310 -1.9940 1.5040 N.am 1 LIG5 0.0000
23 O2 5.6700 -0.1520 0.4260 O.2 1 LIG5 0.0000
24 H1 -2.8100 2.0660 0.8820 H 1 LIG5 0.0000
25 H2 1.6880 3.4020 -0.1820 H 1 LIG5 0.0000
26 H3 -0.1530 4.8960 -0.4910 H 1 LIG5 0.0000
27 H4 2.4810 -2.0120 2.0570 H 1 LIG5 0.0000
28 H5 0.5700 -1.2240 3.8980 H 1 LIG5 0.0000
29 H6 0.0610 0.4660 3.7090 H 1 LIG5 0.0000
30 H7 -1.5400 -0.8360 5.0830 H 1 LIG5 0.0000
31 H8 -2.2980 -0.2250 3.5990 H 1 LIG5 0.0000
32 H9 -2.9430 -2.5740 3.9780 H 1 LIG5 0.0000
33 H10 -1.2350 -3.0550 4.0550 H 1 LIG5 0.0000
34 H11 -2.1570 -3.5520 1.8250 H 1 LIG5 0.0000
35 H12 -2.6720 -1.8650 1.6330 H 1 LIG5 0.0000
36 H13 -0.5570 -2.2610 0.4340 H 1 LIG5 0.0000
37 H14 0.1920 -2.8740 1.9220 H 1 LIG5 0.0000
38 H15 4.3720 1.1580 -0.9570 H 1 LIG5 0.0000
39 H16 2.9520 2.1260 -1.1240 H 1 LIG5 0.0000
40 H17 4.7540 3.4740 -0.1470 H 1 LIG5 0.0000
41 H18 3.5180 3.2410 1.1080 H 1 LIG5 0.0000
42 H19 5.0070 2.2770 1.1410 H 1 LIG5 0.0000
43 H20 6.0640 -2.2570 1.4830 H 1 LIG5 0.0000
44 H21 4.4740 -2.5650 1.9280 H 1 LIG5 0.0000
@<TRIPOS>BOND
1 1 2 2
2 1 6 1
3 1 24 1
4 2 3 1
5 2 7 1
6 3 4 2
7 3 10 1
8 4 5 1
9 4 25 1
10 5 6 2
11 5 26 1
12 7 8 1
13 8 9 1
14 8 14 1
15 8 18 1
16 9 10 2
17 9 11 1
18 10 13 1
19 11 12 2
20 11 27 1
21 12 13 1
22 12 21 1
23 13 19 1
24 14 15 1
25 14 28 1
26 14 29 1
27 15 16 1
28 15 30 1
29 15 31 1
30 16 17 1
31 16 32 1
32 16 33 1
33 17 18 1
34 17 34 1
35 17 35 1
36 18 36 1
37 18 37 1
38 19 20 1
39 19 38 1
40 19 39 1
41 20 40 1
42 20 41 1
43 20 42 1
44 21 22 1
45 21 23 2
46 22 43 1
47 22 44 1
@<TRIPOS>SUBSTRUCTURE
1 LIG5 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
692696
38 41 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -1.6390 1.2170 0.4310 C.2 1 LIG6 0.0000
2 C2 -0.5840 0.3210 0.1990 C.2 1 LIG6 0.0000
3 C3 0.7390 0.6700 0.5780 C.2 1 LIG6 0.0000
4 C4 0.9460 1.9480 1.1430 C.2 1 LIG6 0.0000
5 C5 -0.1410 2.8130 1.3450 C.2 1 LIG6 0.0000
6 N1 -1.3880 2.4240 0.9900 N.2 1 LIG6 0.0000
7 O1 -0.8720 -0.8970 -0.3570 O.3 1 LIG6 0.0000
8 C6 0.1430 -1.7180 -0.9670 C.3 1 LIG6 0.0000
9 C7 1.4820 -1.4240 -0.4190 C.2 1 LIG6 0.0000
10 C8 1.7720 -0.2860 0.3290 C.2 1 LIG6 0.0000
11 C9 2.6540 -2.1310 -0.5970 C.2 1 LIG6 0.0000
12 C10 3.6560 -1.4370 0.0720 C.2 1 LIG6 0.0000
13 N2 3.0960 -0.3400 0.6560 N.pl3 1 LIG6 0.0000
14 C11 3.7980 0.5520 1.5300 C.3 1 LIG6 0.0000
15 C12 4.4720 1.6840 0.7360 C.3 1 LIG6 0.0000
16 C13 5.0060 -1.8550 0.0870 C.2 1 LIG6 0.0000
17 N3 5.4020 -2.9820 -0.5250 N.am 1 LIG6 0.0000
18 O2 5.8990 -1.1890 0.6510 O.2 1 LIG6 0.0000
19 C14 -0.3270 -3.1810 -0.9830 C.3 1 LIG6 0.0000
20 C15 -0.6140 -3.0830 -2.4840 C.3 1 LIG6 0.0000
21 C16 0.0260 -1.6920 -2.4990 C.3 1 LIG6 0.0000
22 F1 5.0250 2.5970 1.5980 F 1 LIG6 0.0000
23 H1 -2.5940 0.9620 0.1760 H 1 LIG6 0.0000
24 H2 1.8720 2.2830 1.3890 H 1 LIG6 0.0000
25 H3 0.0080 3.7370 1.7520 H 1 LIG6 0.0000
26 H4 2.7580 -2.9930 -1.1330 H 1 LIG6 0.0000
27 H5 3.1280 0.9590 2.2840 H 1 LIG6 0.0000
28 H6 4.5620 0.0150 2.0920 H 1 LIG6 0.0000
29 H7 5.2570 1.2710 0.1030 H 1 LIG6 0.0000
30 H8 3.7380 2.1870 0.1060 H 1 LIG6 0.0000
31 H9 6.3380 -3.2350 -0.5020 H 1 LIG6 0.0000
32 H10 4.7600 -3.5400 -0.9880 H 1 LIG6 0.0000
33 H11 -1.1990 -3.3980 -0.3660 H 1 LIG6 0.0000
34 H12 0.4250 -3.9320 -0.7360 H 1 LIG6 0.0000
35 H13 -0.1210 -3.8320 -3.1040 H 1 LIG6 0.0000
36 H14 -1.6750 -3.0870 -2.7340 H 1 LIG6 0.0000
37 H15 0.9660 -1.6590 -3.0520 H 1 LIG6 0.0000
38 H16 -0.6060 -0.9020 -2.9050 H 1 LIG6 0.0000
@<TRIPOS>BOND
1 1 2 2
2 1 6 1
3 1 23 1
4 2 3 1
5 2 7 1
6 3 4 2
7 3 10 1
8 4 5 1
9 4 24 1
10 5 6 2
11 5 25 1
12 7 8 1
13 8 9 1
14 8 19 1
15 8 21 1
16 9 10 2
17 9 11 1
18 10 13 1
19 11 12 2
20 11 26 1
21 12 13 1
22 12 16 1
23 13 14 1
24 14 15 1
25 14 27 1
26 14 28 1
27 15 22 1
28 15 29 1
29 15 30 1
30 16 17 1
31 16 18 2
32 17 31 1
33 17 32 1
34 19 20 1
35 19 33 1
36 19 34 1
37 20 21 1
38 20 35 1
39 20 36 1
40 21 37 1
41 21 38 1
@<TRIPOS>SUBSTRUCTURE
1 LIG6 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778200
37 40 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 5.9120 -14.0180 -1.5230 O.3 1 LIG7 0.0000
2 C1 7.0620 -9.4870 0.8500 C.3 1 LIG7 0.0000
3 C2 8.3660 -10.2070 0.3970 C.3 1 LIG7 0.0000
4 C3 6.9410 -12.0660 -0.5290 C.2 1 LIG7 0.0000
5 C4 8.1960 -11.5090 -0.2930 C.2 1 LIG7 0.0000
6 C5 9.2240 -12.3220 -0.7790 C.2 1 LIG7 0.0000
7 S1 8.6440 -13.7760 -1.5250 S.3 1 LIG7 0.0000
8 C6 7.0150 -13.2840 -1.1960 C.2 1 LIG7 0.0000
9 C7 5.9490 -15.0510 -2.4150 C.2 1 LIG7 0.0000
10 C8 5.8070 -10.1970 0.5350 C.2 1 LIG7 0.0000
11 C9 5.7690 -11.4190 -0.1200 C.2 1 LIG7 0.0000
12 S2 4.1530 -11.9980 -0.3460 S.3 1 LIG7 0.0000
13 N1 3.5730 -10.6160 0.4280 N.2 1 LIG7 0.0000
14 C10 4.5250 -9.7620 0.8360 C.2 1 LIG7 0.0000
15 C11 10.6000 -12.0540 -0.7060 C.2 1 LIG7 0.0000
16 O2 11.0530 -11.0160 -0.1760 O.2 1 LIG7 0.0000
17 N2 11.4780 -12.9260 -1.2170 N.am 1 LIG7 0.0000
18 C12 6.6620 -15.0130 -3.6300 C.2 1 LIG7 0.0000
19 C13 6.6250 -16.1020 -4.5160 C.2 1 LIG7 0.0000
20 C14 5.8520 -17.2340 -4.1880 C.2 1 LIG7 0.0000
21 N3 5.1640 -17.2300 -3.0140 N.2 1 LIG7 0.0000
22 C15 5.1840 -16.1950 -2.1370 C.2 1 LIG7 0.0000
23 C16 5.7690 -18.3520 -5.0400 C.2 1 LIG7 0.0000
24 N4 4.9940 -19.4000 -4.7210 N.am 1 LIG7 0.0000
25 O3 6.4040 -18.4130 -6.1170 O.2 1 LIG7 0.0000
26 H1 7.1100 -9.3390 1.9300 H 1 LIG7 0.0000
27 H2 7.0290 -8.5060 0.3740 H 1 LIG7 0.0000
28 H3 8.9850 -10.3680 1.2810 H 1 LIG7 0.0000
29 H4 8.9050 -9.5350 -0.2740 H 1 LIG7 0.0000
30 H5 4.3250 -8.8850 1.3180 H 1 LIG7 0.0000
31 H6 12.4270 -12.7360 -1.1660 H 1 LIG7 0.0000
32 H7 11.1670 -13.7420 -1.6370 H 1 LIG7 0.0000
33 H8 7.2060 -14.1870 -3.8770 H 1 LIG7 0.0000
34 H9 7.1500 -16.0610 -5.3910 H 1 LIG7 0.0000
35 H10 4.6430 -16.2510 -1.2740 H 1 LIG7 0.0000
36 H11 4.9440 -20.1620 -5.3160 H 1 LIG7 0.0000
37 H12 4.4860 -19.3870 -3.8950 H 1 LIG7 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 26 1
6 2 27 1
7 3 5 1
8 3 28 1
9 3 29 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 30 1
25 15 16 2
26 15 17 1
27 17 31 1
28 17 32 1
29 18 19 1
30 18 33 1
31 19 20 2
32 19 34 1
33 20 21 1
34 20 23 1
35 21 22 2
36 22 35 1
37 23 24 1
38 23 25 2
39 24 36 1
40 24 37 1
@<TRIPOS>SUBSTRUCTURE
1 LIG7 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778207
47 50 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 11.2560 -13.1660 3.2390 O.3 1 LIG8 0.0000
2 C1 7.6590 -11.0690 0.0550 C.3 1 LIG8 0.0000
3 C2 8.5190 -9.9500 0.7110 C.3 1 LIG8 0.0000
4 C3 9.8160 -11.7430 1.9130 C.2 1 LIG8 0.0000
5 C4 9.5850 -10.3970 1.6410 C.2 1 LIG8 0.0000
6 C5 10.4640 -9.5660 2.3430 C.2 1 LIG8 0.0000
7 S1 11.5730 -10.4450 3.3440 S.3 1 LIG8 0.0000
8 C6 10.8630 -11.9330 2.8100 C.2 1 LIG8 0.0000
9 C7 12.3950 -13.3510 3.9650 C.2 1 LIG8 0.0000
10 C8 8.0190 -12.4480 0.4380 C.2 1 LIG8 0.0000
11 C9 9.0450 -12.7490 1.3200 C.2 1 LIG8 0.0000
12 S2 9.2240 -14.4530 1.5700 S.3 1 LIG8 0.0000
13 N1 7.9420 -14.7210 0.5080 N.2 1 LIG8 0.0000
14 C10 7.4030 -13.6070 -0.0120 C.2 1 LIG8 0.0000
15 C11 10.5000 -8.1640 2.2950 C.2 1 LIG8 0.0000
16 O2 9.7160 -7.4980 1.5850 O.2 1 LIG8 0.0000
17 N2 11.3980 -7.4950 3.0280 N.am 1 LIG8 0.0000
18 C12 12.3400 -14.1810 5.0970 C.2 1 LIG8 0.0000
19 C13 13.4890 -14.4230 5.8660 C.2 1 LIG8 0.0000
20 C14 14.7120 -13.8340 5.4860 C.2 1 LIG8 0.0000
21 N3 14.7350 -13.0490 4.3750 N.2 1 LIG8 0.0000
22 C15 13.6410 -12.7970 3.6130 C.2 1 LIG8 0.0000
23 C16 15.9000 -14.0340 6.2170 C.2 1 LIG8 0.0000
24 N4 17.0410 -13.4330 5.8150 N.am 1 LIG8 0.0000
25 O3 15.9170 -14.7580 7.2410 O.2 1 LIG8 0.0000
26 C17 18.2780 -13.5830 6.4920 C.3 1 LIG8 0.0000
27 C18 19.3570 -12.7420 5.7980 C.3 1 LIG8 0.0000
28 O4 19.4980 -13.1600 4.4430 O.3 1 LIG8 0.0000
29 C19 20.4550 -12.4600 3.6540 C.3 1 LIG8 0.0000
30 H1 7.7500 -10.9800 -1.0290 H 1 LIG8 0.0000
31 H2 6.6150 -10.9010 0.3220 H 1 LIG8 0.0000
32 H3 7.8460 -9.2870 1.2580 H 1 LIG8 0.0000
33 H4 8.9860 -9.3710 -0.0880 H 1 LIG8 0.0000
34 H5 6.6220 -13.6130 -0.6680 H 1 LIG8 0.0000
35 H6 11.4200 -6.5270 2.9920 H 1 LIG8 0.0000
36 H7 12.0230 -7.9760 3.5920 H 1 LIG8 0.0000
37 H8 11.4540 -14.6090 5.3670 H 1 LIG8 0.0000
38 H9 13.4300 -15.0240 6.6900 H 1 LIG8 0.0000
39 H10 13.7280 -12.2080 2.7840 H 1 LIG8 0.0000
40 H11 17.0100 -12.8790 5.0190 H 1 LIG8 0.0000
41 H12 18.1780 -13.2470 7.5260 H 1 LIG8 0.0000
42 H13 18.5810 -14.6310 6.4820 H 1 LIG8 0.0000
43 H14 19.0730 -11.6890 5.8330 H 1 LIG8 0.0000
44 H15 20.3040 -12.8750 6.3230 H 1 LIG8 0.0000
45 H16 20.4660 -12.8800 2.6490 H 1 LIG8 0.0000
46 H17 20.1890 -11.4040 3.5990 H 1 LIG8 0.0000
47 H18 21.4470 -12.5630 4.0960 H 1 LIG8 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 30 1
6 2 31 1
7 3 5 1
8 3 32 1
9 3 33 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 34 1
25 15 16 2
26 15 17 1
27 17 35 1
28 17 36 1
29 18 19 1
30 18 37 1
31 19 20 2
32 19 38 1
33 20 21 1
34 20 23 1
35 21 22 2
36 22 39 1
37 23 24 1
38 23 25 2
39 24 26 1
40 24 40 1
41 26 27 1
42 26 41 1
43 26 42 1
44 27 28 1
45 27 43 1
46 27 44 1
47 28 29 1
48 29 45 1
49 29 46 1
50 29 47 1
@<TRIPOS>SUBSTRUCTURE
1 LIG8 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778201
40 43 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 11.4540 -13.2210 2.8710 O.3 1 LIG9 0.0000
2 C1 7.4380 -11.1620 0.1970 C.3 1 LIG9 0.0000
3 C2 8.2490 -10.0390 0.9060 C.3 1 LIG9 0.0000
4 C3 9.7830 -11.8150 1.8210 C.2 1 LIG9 0.0000
5 C4 9.4220 -10.4750 1.7030 C.2 1 LIG9 0.0000
6 C5 10.2880 -9.6390 2.4150 C.2 1 LIG9 0.0000
7 S1 11.5510 -10.5050 3.2270 S.3 1 LIG9 0.0000
8 C6 10.9070 -11.9960 2.6210 C.2 1 LIG9 0.0000
9 C7 12.3900 -13.4110 3.8450 C.2 1 LIG9 0.0000
10 C8 7.9410 -12.5330 0.4070 C.2 1 LIG9 0.0000
11 C9 9.0540 -12.8250 1.1820 C.2 1 LIG9 0.0000
12 S2 9.3920 -14.5220 1.2410 S.3 1 LIG9 0.0000
13 N1 8.0630 -14.7990 0.2410 N.2 1 LIG9 0.0000
14 C10 7.3940 -13.6930 -0.1210 C.2 1 LIG9 0.0000
15 C11 10.2070 -8.2410 2.5050 C.2 1 LIG9 0.0000
16 O2 9.3130 -7.5830 1.9310 O.2 1 LIG9 0.0000
17 N2 11.1110 -7.5680 3.2280 N.am 1 LIG9 0.0000
18 C12 12.2770 -12.8840 5.1470 C.2 1 LIG9 0.0000
19 C13 13.2660 -13.1370 6.1110 C.2 1 LIG9 0.0000
20 C14 14.3740 -13.9390 5.7710 C.2 1 LIG9 0.0000
21 N3 14.4420 -14.4470 4.5100 N.2 1 LIG9 0.0000
22 C15 13.5030 -14.2180 3.5570 C.2 1 LIG9 0.0000
23 C16 15.3990 -14.2290 6.6940 C.2 1 LIG9 0.0000
24 N4 16.4330 -15.0160 6.3210 N.am 1 LIG9 0.0000
25 O3 15.3690 -13.7660 7.8590 O.2 1 LIG9 0.0000
26 C17 17.5010 -15.3540 7.1910 C.3 1 LIG9 0.0000
27 H1 7.4360 -10.9590 -0.8750 H 1 LIG9 0.0000
28 H2 6.4070 -11.1180 0.5520 H 1 LIG9 0.0000
29 H3 7.5690 -9.5000 1.5680 H 1 LIG9 0.0000
30 H4 8.5970 -9.3420 0.1420 H 1 LIG9 0.0000
31 H5 6.5700 -13.7050 -0.7230 H 1 LIG9 0.0000
32 H6 11.0520 -6.6020 3.2900 H 1 LIG9 0.0000
33 H7 11.8200 -8.0430 3.6880 H 1 LIG9 0.0000
34 H8 11.4680 -12.3150 5.3970 H 1 LIG9 0.0000
35 H9 13.1720 -12.7420 7.0480 H 1 LIG9 0.0000
36 H10 13.6090 -14.6310 2.6300 H 1 LIG9 0.0000
37 H11 16.4380 -15.3630 5.4150 H 1 LIG9 0.0000
38 H12 18.2050 -15.9950 6.6600 H 1 LIG9 0.0000
39 H13 18.0180 -14.4500 7.5170 H 1 LIG9 0.0000
40 H14 17.1190 -15.8870 8.0620 H 1 LIG9 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 27 1
6 2 28 1
7 3 5 1
8 3 29 1
9 3 30 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 31 1
25 15 16 2
26 15 17 1
27 17 32 1
28 17 33 1
29 18 19 1
30 18 34 1
31 19 20 2
32 19 35 1
33 20 21 1
34 20 23 1
35 21 22 2
36 22 36 1
37 23 24 1
38 23 25 2
39 24 26 1
40 24 37 1
41 26 38 1
42 26 39 1
43 26 40 1
@<TRIPOS>SUBSTRUCTURE
1 LIG9 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
692606
37 39 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -0.4680 1.0760 -0.7660 C.2 1 LIG10 0.0000
2 C2 -1.4780 1.0790 0.2310 C.2 1 LIG10 0.0000
3 O1 0.1680 -0.0760 -1.1420 O.3 1 LIG10 0.0000
4 C3 -0.3680 -1.3830 -0.8570 C.3 1 LIG10 0.0000
5 C4 -1.3110 -1.3510 0.2830 C.2 1 LIG10 0.0000
6 C5 -1.8320 -0.1750 0.8190 C.2 1 LIG10 0.0000
7 C6 -1.8820 -2.4150 0.9540 C.2 1 LIG10 0.0000
8 C7 -2.7230 -1.8840 1.9260 C.2 1 LIG10 0.0000
9 N1 -2.6530 -0.5260 1.8510 N.pl3 1 LIG10 0.0000
10 C8 -3.4920 -2.6850 2.8010 C.2 1 LIG10 0.0000
11 O2 -4.2740 -2.1900 3.6410 O.2 1 LIG10 0.0000
12 N2 -3.4370 -4.0260 2.7620 N.am 1 LIG10 0.0000
13 C9 -2.0860 2.3140 0.5470 C.2 1 LIG10 0.0000
14 C10 -1.6630 3.4910 -0.0890 C.2 1 LIG10 0.0000
15 N3 -0.6770 3.4410 -1.0150 N.2 1 LIG10 0.0000
16 C11 -0.0730 2.2810 -1.3680 C.2 1 LIG10 0.0000
17 C12 0.8380 -2.2920 -0.5550 C.3 1 LIG10 0.0000
18 C13 -1.0820 -1.8910 -2.1230 C.3 1 LIG10 0.0000
19 C14 -3.2930 0.3620 2.7760 C.3 1 LIG10 0.0000
20 C15 -4.7230 0.6980 2.3240 C.3 1 LIG10 0.0000
21 H1 -1.7160 -3.4030 0.7620 H 1 LIG10 0.0000
22 H2 -3.9820 -4.5450 3.3730 H 1 LIG10 0.0000
23 H3 -2.8560 -4.4740 2.1290 H 1 LIG10 0.0000
24 H4 -2.8510 2.3810 1.2100 H 1 LIG10 0.0000
25 H5 -2.1030 4.3830 0.1390 H 1 LIG10 0.0000
26 H6 0.6650 2.2850 -2.0720 H 1 LIG10 0.0000
27 H7 0.5110 -3.3200 -0.3950 H 1 LIG10 0.0000
28 H8 1.5300 -2.2690 -1.3980 H 1 LIG10 0.0000
29 H9 1.3590 -1.9370 0.3350 H 1 LIG10 0.0000
30 H10 -1.4480 -2.9080 -1.9710 H 1 LIG10 0.0000
31 H11 -1.9220 -1.2390 -2.3650 H 1 LIG10 0.0000
32 H12 -0.3830 -1.8880 -2.9600 H 1 LIG10 0.0000
33 H13 -3.3380 -0.0850 3.7680 H 1 LIG10 0.0000
34 H14 -2.7140 1.2740 2.9040 H 1 LIG10 0.0000
35 H15 -5.1580 1.4240 3.0100 H 1 LIG10 0.0000
36 H16 -4.7130 1.1140 1.3170 H 1 LIG10 0.0000
37 H17 -5.3320 -0.2060 2.3290 H 1 LIG10 0.0000
@<TRIPOS>BOND
1 1 2 1
2 1 3 1
3 1 16 2
4 2 6 1
5 2 13 2
6 3 4 1
7 4 5 1
8 4 17 1
9 4 18 1
10 5 6 2
11 5 7 1
12 6 9 1
13 7 8 2
14 7 21 1
15 8 9 1
16 8 10 1
17 9 19 1
18 10 11 2
19 10 12 1
20 12 22 1
21 12 23 1
22 13 14 1
23 13 24 1
24 14 15 2
25 14 25 1
26 15 16 1
27 16 26 1
28 17 27 1
29 17 28 1
30 17 29 1
31 18 30 1
32 18 31 1
33 18 32 1
34 19 20 1
35 19 33 1
36 19 34 1
37 20 35 1
38 20 36 1
39 20 37 1
@<TRIPOS>SUBSTRUCTURE
1 LIG10 1 GROUP 1 LIG 1
@<TRIPOS>MOLECULE
50778257
35 38 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O1 11.4380 -11.2730 -3.6520 O.3 1 LIG11 0.0000
2 C1 9.4850 -10.3460 1.1220 C.3 1 LIG11 0.0000
3 C2 9.2660 -9.1120 0.1980 C.3 1 LIG11 0.0000
4 C3 10.4080 -10.3790 -1.6540 C.2 1 LIG11 0.0000
5 C4 9.7720 -9.2300 -1.1920 C.2 1 LIG11 0.0000
6 C5 9.6840 -8.2500 -2.1850 C.2 1 LIG11 0.0000
7 S1 10.3890 -8.7440 -3.6900 S.3 1 LIG11 0.0000
8 C6 10.8000 -10.2730 -2.9840 C.2 1 LIG11 0.0000
9 C7 11.8060 -11.0750 -4.9440 C.2 1 LIG11 0.0000
10 C8 10.1720 -11.4910 0.4940 C.2 1 LIG11 0.0000
11 C9 10.6030 -11.4890 -0.8240 C.2 1 LIG11 0.0000
12 S2 11.3740 -12.9740 -1.2700 S.3 1 LIG11 0.0000
13 N1 11.1070 -13.5550 0.2910 N.2 1 LIG11 0.0000
14 C10 10.4780 -12.6960 1.1080 C.2 1 LIG11 0.0000
15 C11 9.1030 -6.9800 -2.0490 C.2 1 LIG11 0.0000
16 O2 8.5860 -6.5900 -0.9790 O.2 1 LIG11 0.0000
17 N2 9.0900 -6.1370 -3.0900 N.am 1 LIG11 0.0000
18 C12 13.0650 -10.5320 -5.2570 C.2 1 LIG11 0.0000
19 C13 13.4450 -10.3480 -6.5970 C.2 1 LIG11 0.0000
20 C14 12.5490 -10.7210 -7.6120 C.2 1 LIG11 0.0000
21 N3 11.3440 -11.2510 -7.2850 N.2 1 LIG11 0.0000
22 C15 10.9510 -11.4400 -5.9990 C.2 1 LIG11 0.0000
23 N4 12.8680 -10.5630 -8.9030 N.pl3 1 LIG11 0.0000
24 H1 8.5110 -10.6850 1.4780 H 1 LIG11 0.0000
25 H2 10.0700 -10.0280 1.9860 H 1 LIG11 0.0000
26 H3 9.7510 -8.2530 0.6650 H 1 LIG11 0.0000
27 H4 8.1940 -8.9110 0.1550 H 1 LIG11 0.0000
28 H5 10.2500 -12.9080 2.0800 H 1 LIG11 0.0000
29 H6 8.6870 -5.2610 -2.9910 H 1 LIG11 0.0000
30 H7 9.4810 -6.4020 -3.9370 H 1 LIG11 0.0000
31 H8 13.7050 -10.2690 -4.5080 H 1 LIG11 0.0000
32 H9 14.3570 -9.9510 -6.8240 H 1 LIG11 0.0000
33 H10 10.0360 -11.8460 -5.8000 H 1 LIG11 0.0000
34 H11 12.2370 -10.8280 -9.5900 H 1 LIG11 0.0000
35 H12 13.7260 -10.1860 -9.1510 H 1 LIG11 0.0000
@<TRIPOS>BOND
1 1 8 1
2 1 9 1
3 2 3 1
4 2 10 1
5 2 24 1
6 2 25 1
7 3 5 1
8 3 26 1
9 3 27 1
10 4 5 1
11 4 8 2
12 4 11 1
13 5 6 2
14 6 7 1
15 6 15 1
16 7 8 1
17 9 18 2
18 9 22 1
19 10 11 2
20 10 14 1
21 11 12 1
22 12 13 1
23 13 14 2
24 14 28 1
25 15 16 2
26 15 17 1
27 17 29 1
28 17 30 1
29 18 19 1
30 18 31 1
31 19 20 2
32 19 32 1
33 20 21 1