
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -6.2413   -4.9717   -0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865    1.1478    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8462   -4.8716   -0.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9822   -4.3276    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    0.0492    0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5526    0.6387   -1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9383   -3.4822    1.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6716   -4.0212    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987   -2.4971   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1790   -4.1256    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3246   -3.5866    1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -1.0614   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0371   -2.9647    1.9645 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541   -2.6273   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557   -0.7022   -1.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7481   -5.5516   -1.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046    2.1839    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2844   -5.3801   -1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0652   -4.3955    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227    0.0553    1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531    1.0761   -1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4537   -2.8890    1.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -4.6013   -0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067   -4.4720    0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364   -3.0648   -0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102   -2.8928    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876   -2.2409   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  2  0  0  0  0
  5 20  1  0  0  0  0
  6  2  2  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 14 27  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z2737076969

>  <Barcode>
0110770269

>  <Well>
A03

>  <Plate_ID>
816280-08

>  <MW>
205.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
