
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.9150    3.5634   -1.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042    4.0401    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253    2.5746   -1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969    3.5367    1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    0.9380    0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2654    0.9751   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308   -0.6308    0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264    2.0414    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.6634    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    2.5481    1.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4593    2.0655    2.4480 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520    1.4787    0.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524   -0.1156   -0.1508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052   -1.1147    0.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3109    3.9568   -2.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1820    4.8005    0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594    2.2108   -2.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644    3.8991    2.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5484    0.3017    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679    0.3007   -0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573    1.8469   -0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -1.2389    1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    2.3626   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -0.2477   -0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  7 14  2  0  0  0  0
  7 22  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <ID>
Z1454310449

>  <Barcode>
0110705810

>  <Well>
D03

>  <Plate_ID>
816280-02

>  <MW>
191.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
