HTS2204-05641886
50 53 0 0 0 0 0 0 0 0999 V2000
4.1072 1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7990 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 -0.6566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1072 -0.1932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2801 2.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7425 1.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 1.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6777 3.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9463 3.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 -0.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2801 -1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3932 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1608 2.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7425 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1274 2.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6106 2.1868 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
9.7088 1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0961 4.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5794 3.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1921 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9510 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7010 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 4.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9510 4.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4953 2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1508 3.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8689 3.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5539 -1.6623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8019 -1.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8528 0.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8528 0.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3306 -0.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7275 -1.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3347 0.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8769 4.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9535 4.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4113 0.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7586 3.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7587 2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8468 1.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 1.6507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1606 2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1606 3.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5551 5.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1128 4.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 4.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8468 5.0448 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
4 2 2 0 0 0 0
14 16 1 0 0 0 0
17 22 2 0 0 0 0
26 27 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
>
HTS2204-05641886-01
>
Namiki2204
>
NS-022617441-0000
>
C20H23N4O2Cl
>
386.883
>
0
>
0
>
3
>
0
>
58.4400
>
-9.3816
>
-0.2905
>
-3.716
>
2.986
>
-4.305
>
C1CCN(C(c3nn4CCCN(C(c4c3)=O)Cc2ccc(cc2)[Cl])=O)CC1
>
KSH2210-01183004
>
50797858
$$$$