
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.0942   -5.4461   -1.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -5.5784   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215    0.6395    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1359   -5.0062    0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460   -0.7389    0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    1.4001   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765   -1.3338    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -3.5188    0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -0.4735   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079   -0.9755   -1.2574 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1122    0.8737   -0.5676 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3265   -2.7427    0.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5686   -3.1014    0.6787 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2710   -4.3976   -2.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -5.8934   -2.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -5.9607   -1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6279   -5.0956   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594   -6.6397   -0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594    1.1067    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738   -5.1735    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0855   -5.5460    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7735   -1.3378    0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464    2.4797   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568   -3.1949    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6  3  1  0  0  0  0
  6 11  2  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 12 24  1  0  0  0  0
 13  8  2  0  0  0  0
M  END
>  <ID>
Z240654968

>  <Barcode>
0110706324

>  <Well>
A12

>  <Plate_ID>
816280-07

>  <MW>
198.65

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11ClN2O/c1-2-4-8(13)12-7-5-3-6-11-9(7)10/h3,5-6H,2,4H2,1H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	11
3	C	12
4	C	8
5	C	9
6	C	10
7	C	3
8	C	4
9	C	1
10	Cl	7
11	N	5
12	N	2
13	O	6
14	H	22
15	H	23
16	H	24
17	H	19
18	H	20
19	H	21
20	H	15
21	H	16
22	H	17
23	H	18
24	H	14


> <ALATIS_Mixture_Map>

$$$$
