KSH2210-01183004
50 53 0 0 0 0 0 0 0 0999 V2000
-1.4287 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4254 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8941 -0.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6653 -1.1641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1308 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -1.8781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3239 2.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7023 3.7819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0118 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8059 0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8291 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8725 -2.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -3.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0945 -3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 -3.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2144 -5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2968 -6.2246 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
2.6952 -4.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5459 -2.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6059 -3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7627 -5.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2275 3.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6008 4.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9784 6.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6132 5.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4808 6.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 1.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.2970 -3.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3489 -3.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6101 -4.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 -3.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1163 -4.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7021 -2.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1828 -3.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6100 -6.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 3.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 3.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0172 4.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0985 5.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5610 6.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 6.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1893 5.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1215 4.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6412 7.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9393 6.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 1 2 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
6 1 1 0 0 0 0
7 6 1 0 0 0 0
8 2 1 0 0 0 0
9 8 1 0 0 0 0
10 7 1 0 0 0 0
11 6 2 0 0 0 0
12 8 2 0 0 0 0
13 5 1 0 0 0 0
14 7 1 0 0 0 0
15 10 1 0 0 0 0
16 13 1 0 0 0 0
17 21 1 0 0 0 0
18 17 1 0 0 0 0
19 15 2 0 0 0 0
20 15 1 0 0 0 0
21 20 2 0 0 0 0
22 19 1 0 0 0 0
23 9 1 0 0 0 0
24 9 1 0 0 0 0
25 24 1 0 0 0 0
26 23 1 0 0 0 0
27 25 1 0 0 0 0
2 4 2 0 0 0 0
16 14 1 0 0 0 0
22 17 2 0 0 0 0
27 26 1 0 0 0 0
3 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
>
KSH2210-01183004-01
>
Kishida2210
>
G542-1061
>
-
>
ChemDiv
>
KS122-1431036
>
C20H23N4O2Cl
>
386.883
>
0
>
0
>
3
>
0
>
58.4400
>
-9.3734
>
-0.2032
>
-3.945
>
3.074
>
-4.582
>
C1CCN(C(c3nn4CCCN(C(c4c3)=O)Cc2ccc(cc2)[Cl])=O)CC1
>
HTS2204-05641886
>
50797858
$$$$