
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.1630    3.0384   -3.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825    1.7934   -4.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032    3.1197   -2.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    0.7145   -2.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649    0.6376   -3.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350    1.9568   -1.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090    1.1156    0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336    1.6234    2.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.9026   -4.1330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    2.9241    2.3995 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7657    1.5799    2.5018 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937    0.9074    3.1966 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889    2.1131   -0.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3222   -0.0492    0.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596    3.9448   -4.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671    1.7285   -5.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022    4.1050   -1.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326   -0.2126   -1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3888    3.0591    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  1  1  0  0  0  0
  2  5  2  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  4  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 13 19  1  0  0  0  0
 14  7  2  0  0  0  0
M  END
>  <ID>
Z111810692

>  <Barcode>
9990529561

>  <Well>
F02

>  <Plate_ID>
816280-04

>  <MW>
223.58

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
