
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.7255    2.6649    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238    1.2065    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223   -3.6267   -3.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501   -3.4523   -4.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -2.7436   -2.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1700   -1.4986   -2.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614   -2.3826   -3.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584   -1.6868   -1.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303    0.0239   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0749   -2.1555   -4.4568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5061   -0.9163   -0.9013 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    0.4643    0.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    0.3758   -0.5146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3936    3.2937    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    2.9980   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    2.8256    0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773    1.0969    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0259    0.8426    1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219   -4.4559   -3.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0682   -4.1470   -4.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -2.9130   -1.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345   -0.6769   -2.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -1.1513   -0.5186 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 13  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  3  1  0  0  0  0
  4  7  2  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6 22  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 23  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z31697001

>  <Barcode>
0110706279

>  <Well>
E09

>  <Plate_ID>
816280-07

>  <MW>
199.64

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
