
    alatis_output_mol

 23 23  0  0  1  0  0  0  0  0999 V2000
   -1.6413    3.3034    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143    2.4610    4.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7836    4.4431    3.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730    1.6755   -1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933    2.6403    0.0402 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9690    3.7946    4.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.8375    3.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9065    2.5493    2.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6211    4.6218    5.9130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7465    0.5432    3.6016 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    3.8502    2.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4423    1.8630    1.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    0.7004   -0.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6944    3.9848    1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118    3.8836   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    2.5634    0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7376    1.8986    5.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0563    5.4870    3.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8164    1.1429   -1.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222    2.2313   -2.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7370    3.4019   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646    1.1454    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115    0.1486   -1.7449 H   0  0  0  0  0  0  0  0  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  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  6  0  0  0
  6  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 12 22  1  0  0  0  0
 13  4  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <ID>
Z1432018343

>  <Barcode>
0110705262

>  <Well>
A10

>  <Plate_ID>
816280-02

>  <MW>
204.63

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
