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Created by X-TOOL on Fri Sep 26 17:34:55 2014
56 59 0 0 0 0 0 0 0 0999 V2000
3.4040 46.1170 14.5070 C 0 0 0 3 0 4
4.3860 44.9380 14.3750 C 0 0 0 3 0 4
3.6900 43.6880 14.5540 O 0 0 0 1 0 2
3.0800 43.4440 15.8490 C 0 0 0 3 0 4
2.7940 44.7300 16.6440 C 0 0 0 3 0 4
2.5950 45.8870 15.7230 N 0 3 0 2 0 4
1.5560 46.8550 16.0410 C 0 0 0 3 0 4
1.9860 47.4510 17.3890 C 0 0 0 3 0 4
0.7930 47.7880 18.2910 C 0 0 0 3 0 4
-0.0010 48.8270 17.6860 O 0 0 0 1 0 2
-0.5460 49.8840 18.3700 C 0 0 0 1 0 3
-1.1750 50.8290 17.5810 C 0 0 0 1 0 3
-1.7490 51.9430 18.1780 C 0 0 0 2 0 3
-1.2170 50.6790 16.2200 O 0 0 0 1 0 2
-2.3380 51.2600 15.5080 C 0 0 0 4 0 4
-0.5160 50.0310 19.7780 C 0 0 0 2 0 3
-1.1300 51.1410 20.3560 C 0 0 0 1 0 3
-1.7470 52.0880 19.5480 C 0 0 0 1 0 3
-2.3440 53.1660 20.0860 N 0 0 0 1 0 2
-2.3130 53.3880 21.3930 C 0 0 0 2 0 3
-1.7230 52.5050 22.1960 N 0 0 0 1 0 2
-1.1370 51.3830 21.7250 C 0 0 0 1 0 3
-0.5500 50.5160 22.5680 N 0 0 0 2 0 3
-0.7890 50.3540 23.9050 C 0 0 0 1 0 3
-2.0680 50.5030 24.4450 C 0 0 0 2 0 3
-2.2860 50.3360 25.8070 C 0 0 0 1 0 3
-3.8770 50.5280 26.6050 Cl 0 0 0 1 0 1
-1.2480 49.9960 26.6110 C 0 0 0 1 0 3
-1.5490 49.8410 27.9240 F 0 0 0 1 0 1
0.0430 49.8020 26.0870 C 0 0 0 2 0 3
0.2670 49.9660 24.7340 C 0 0 0 2 0 3
2.7500 46.1619 13.6237 H 0 0 0 1 0 1
3.9608 47.0611 14.5993 H 0 0 0 1 0 1
5.1698 45.0304 15.1412 H 0 0 0 1 0 1
4.8457 44.9581 13.3759 H 0 0 0 1 0 1
3.7592 42.8126 16.4406 H 0 0 0 1 0 1
2.1295 42.9131 15.6919 H 0 0 0 1 0 1
3.6448 44.9401 17.3088 H 0 0 0 1 0 1
1.8845 44.5874 17.2461 H 0 0 0 1 0 1
1.9433 45.3395 15.1831 H 0 0 0 1 0 1
0.5774 46.3604 16.1290 H 0 0 0 1 0 1
1.5036 47.6369 15.2691 H 0 0 0 1 0 1
2.5570 48.3722 17.2010 H 0 0 0 1 0 1
2.6259 46.7225 17.9085 H 0 0 0 1 0 1
1.1608 48.1326 19.2687 H 0 0 0 1 0 1
0.1740 46.8891 18.4282 H 0 0 0 1 0 1
-2.2041 52.7077 17.5590 H 0 0 0 1 0 1
-2.2330 51.0584 14.4317 H 0 0 0 1 0 1
-2.3565 52.3467 15.6774 H 0 0 0 1 0 1
-3.2752 50.8157 15.8745 H 0 0 0 1 0 1
-0.0226 49.2909 20.3976 H 0 0 0 1 0 1
-2.7652 54.2829 21.8051 H 0 0 0 1 0 1
0.1659 49.8995 22.1578 H 0 0 0 1 0 1
-2.8992 50.7515 23.7951 H 0 0 0 1 0 1
0.8599 49.5245 26.7434 H 0 0 0 1 0 1
1.2536 49.7952 24.3187 H 0 0 0 1 0 1
1 2 1 0 0 1
1 6 1 0 0 1
2 3 1 0 0 1
3 4 1 0 0 1
4 5 1 0 0 1
5 6 1 0 0 1
6 7 1 0 0 2
7 8 1 0 0 2
8 9 1 0 0 2
9 10 1 0 0 2
10 11 1 0 0 2
11 12 4 0 0 1
11 16 4 0 0 1
12 13 4 0 0 1
12 14 1 0 0 2
13 18 4 0 0 1
14 15 1 0 0 2
16 17 4 0 0 1
17 18 4 0 0 1
17 22 4 0 0 1
18 19 4 0 0 1
19 20 4 0 0 1
20 21 4 0 0 1
21 22 4 0 0 1
22 23 1 0 0 2
23 24 1 0 0 2
24 25 4 0 0 1
24 31 4 0 0 1
25 26 4 0 0 1
26 27 1 0 0 2
26 28 4 0 0 1
28 29 1 0 0 2
28 30 4 0 0 1
30 31 4 0 0 1
1 32 1 0 0 2
1 33 1 0 0 2
2 34 1 0 0 2
2 35 1 0 0 2
4 36 1 0 0 2
4 37 1 0 0 2
5 38 1 0 0 2
5 39 1 0 0 2
6 40 1 0 0 2
7 41 1 0 0 2
7 42 1 0 0 2
8 43 1 0 0 2
8 44 1 0 0 2
9 45 1 0 0 2
9 46 1 0 0 2
13 47 1 0 0 2
15 48 1 0 0 2
15 49 1 0 0 2
15 50 1 0 0 2
16 51 1 0 0 2
20 52 1 0 0 2
23 53 1 0 0 2
25 54 1 0 0 2
30 55 1 0 0 2
31 56 1 0 0 2
M END
> <MOLECULAR_FORMULA>
C22H25N4O3FCl
> <MOLECULAR_WEIGHT>
447.7
> <NUM_HB_ATOMS>
7
> <NUM_ROTOR>
6
> <XLOGP2>
3.77
$$$$
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