
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.9538    1.5298   -1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701    1.8202    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277    0.7561    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791   -3.7110    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065   -1.3629    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0641   -5.1218    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347   -5.0945   -0.2468 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857   -5.8003   -0.6598 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -5.8834    1.3758 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887   -2.7050    0.1051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091    0.7624   -0.5832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8263   -0.4778   -0.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909   -3.5386    1.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -0.6995    0.9367 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    2.2965   -1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439    0.5584   -0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    1.5040   -2.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098    1.8753    0.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    2.7963   -0.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -2.9546   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10 20  1  0  0  0  0
 11  3  2  0  0  0  0
 11 12  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
M  END
>  <ID>
Z275156196

>  <Barcode>
9990529592

>  <Well>
D09

>  <Plate_ID>
816280-04

>  <MW>
225.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H6F3N3OS/c1-2-3-11-12-5(14-3)10-4(13)6(7,8)9/h2H2,1H3,(H,10,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
