
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.1319   -3.1675    3.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660   -3.2086    2.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8278   -1.9939    4.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321   -2.0935    2.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6776   -0.8583    3.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788   -0.9383    2.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    0.9191    4.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160    0.0328    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8062   -1.1843   -0.3501 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    0.9479   -0.5632 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012    0.2800    0.0041 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221    2.1122    4.7208 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3206    0.3782    3.7493 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830    0.1779    1.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986    0.4089    6.4991 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644   -4.0461    4.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -4.1159    2.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5075   -2.0109    5.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -2.1623    1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    2.2862    3.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8546    2.5271    5.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    1.0584    3.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13  5  1  0  0  0  0
 13 22  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
M  END
>  <ID>
Z291279160

>  <Barcode>
0110705778

>  <Well>
G06

>  <Plate_ID>
816280-02

>  <MW>
236.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
