
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.9489   -3.2138   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8096   -2.4308    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810    1.2130   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706    0.5688    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    0.0163    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    1.4020   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112    2.7265   -0.2700 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    1.2933    0.9152 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249    1.0717   -1.2542 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9365   -0.7254    0.1628 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949   -1.0607    0.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839    0.0182    0.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079   -3.2765   -1.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2892   -4.2329   -0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741   -2.7435   -1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730   -2.4189    0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0757   -2.9079    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    1.8777    0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    1.7279   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5  3  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
M  END
>  <ID>
Z1268152398

>  <Barcode>
0110705884

>  <Well>
F05

>  <Plate_ID>
816280-01

>  <MW>
180.13

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
