
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.3261    6.5195    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4452    2.3194   -0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.6649    0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861    1.2913    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757    3.6615   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713    3.9581    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239   -0.1560   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2475    4.8215   -0.5669 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1398   -0.3686   -0.5836 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237   -0.8203   -0.7834 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535   -0.8165    1.1808 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436    5.1623    0.7518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031    2.9515    0.8762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972    7.0459   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277    7.0269    1.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    6.6464    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    2.0784   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520    0.9270    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573    5.0349    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12 19  1  0  0  0  0
 13  3  2  0  0  0  0
 13  6  1  0  0  0  0
M  END
>  <ID>
Z54628157

>  <Barcode>
0110770238

>  <Well>
C10

>  <Plate_ID>
816280-08

>  <MW>
210.59

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H6ClF3N2/c1-12-6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,1H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
