
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.6499    8.0694    1.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    3.4046    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5549    4.1181    2.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1812    2.0622    0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239    2.7860    2.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9937    4.4419    1.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7291    1.7436    1.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    5.8599    0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -0.0980    3.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693   -1.5726    3.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488   -2.1198    2.3247 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -2.3531    4.2777 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -1.7332    4.1405 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    0.3881    2.2474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    6.2068   -0.4608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650    0.5671    4.5677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    6.6782    1.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473    8.4287    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174    8.6026    2.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683    8.2624    0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746    3.6373   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    4.8896    3.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319    1.2803   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409    2.6074    3.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6162   -0.3007    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  5 24  1  0  0  0  0
  6  3  2  0  0  0  0
  7 14  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 14 25  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
>  <ID>
Z56767614

>  <Barcode>
9990529573

>  <Well>
E11

>  <Plate_ID>
816280-04

>  <MW>
247.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	12
3	C	13
4	C	16
5	C	15
6	C	5
7	C	11
8	C	4
9	C	2
10	C	1
11	F	8
12	F	9
13	F	10
14	N	3
15	O	7
16	O	6
17	O	14
18	H	24
19	H	23
20	H	25
21	H	19
22	H	20
23	H	22
24	H	21
25	H	18


> <ALATIS_Mixture_Map>

$$$$
