
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.7445   -2.4232    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    0.0431    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    1.1690   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9076    0.6605   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634    1.4863    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186    2.5610   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156    2.2680    1.1249 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    0.7239    0.0414 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    2.8400    0.4135 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9154   -0.6856   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818   -1.0261    0.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779    3.4479   -0.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3284   -2.8864    0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -2.8866   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.5163    0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3005   -0.0823    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    2.1320   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952    2.1669    0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097    3.8181    0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5 17  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  2  0  0  0  0
M  END
>  <ID>
Z1515654336

>  <Barcode>
9990531940

>  <Well>
H05

>  <Plate_ID>
816280-05

>  <MW>
175.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
