
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.0060    0.3760   -4.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381    0.5703   -4.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213    0.5411    4.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924   -1.7211    4.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314    0.2441   -3.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024    0.4381   -2.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955    0.6894    3.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -1.5644    3.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373    0.5392   -5.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768   -0.6693    4.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673    0.2828   -2.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236   -0.3712    2.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745    0.2345    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6578    0.6551   -6.2963 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -0.8297    5.9922 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2669    0.1125   -0.9543 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4493   -0.2922    1.2886 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2135    0.6861    0.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    0.3496   -5.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728    0.6916   -4.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    1.3532    4.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -2.6630    4.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3758    0.1205   -3.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    0.4521   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493    1.6335    2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573   -2.4029    2.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    0.0156   -0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -1.0462    1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  2  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  2  0  0  0  0
  8 26  1  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 16 27  1  0  0  0  0
 17 13  1  0  0  0  0
 17 28  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z44586758

>  <Barcode>
0110705908

>  <Well>
D05

>  <Plate_ID>
816280-01

>  <MW>
248.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H10F2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	17
3	C	16
4	C	18
5	C	13
6	C	12
7	C	11
8	C	14
9	C	8
10	C	7
11	C	6
12	C	5
13	C	1
14	F	10
15	F	9
16	N	3
17	N	2
18	O	4
19	H	25
20	H	27
21	H	26
22	H	28
23	H	23
24	H	22
25	H	21
26	H	24
27	H	20
28	H	19


> <ALATIS_Mixture_Map>

$$$$
