
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.1112    2.5146    2.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -2.0544    3.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -0.7025    4.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -2.4865    2.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -0.2161    1.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974    1.6458    3.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0336    0.2182    3.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7614   -1.5748    1.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -1.3892   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7465   -2.2339   -1.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758   -3.4724   -1.8108 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846   -2.4378   -2.0052 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -1.6613   -3.0221 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460   -2.0784    0.3306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5851    2.0920    4.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082   -0.2293   -0.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    3.2386    2.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7139    3.0372    3.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    1.9347    2.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8881   -2.7705    4.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176   -0.3706    5.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2669   -3.5502    2.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702    0.5215    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903   -3.0713    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  2  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8 14  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 24  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <ID>
Z57111868

>  <Barcode>
0110705795

>  <Well>
F12

>  <Plate_ID>
816280-02

>  <MW>
231.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)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	16
2	C	14
3	C	13
4	C	15
5	C	8
6	C	5
7	C	4
8	C	6
9	C	2
10	C	1
11	F	10
12	F	11
13	F	12
14	N	3
15	O	9
16	O	7
17	H	24
18	H	23
19	H	22
20	H	20
21	H	19
22	H	21
23	H	18
24	H	17


> <ALATIS_Mixture_Map>

$$$$
