
    alatis_output_mol

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -3.2237   -1.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -2.6357   -2.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -2.4250   -0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995   -1.2490   -2.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    3.8348    1.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3693   -1.0292   -0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430   -0.4568   -1.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.2296    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948    1.9488    0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044    0.8737   -1.9775 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8545    2.7850    2.6749 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476    1.1338    0.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2331    1.6793    2.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648   -0.8390    1.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627    3.5720    0.4487 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0837   -4.3042   -1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734   -3.2564   -3.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604   -2.9012    0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501   -0.7826   -3.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    4.7847    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    1.5654   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  2  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  2  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 12 21  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z86417414

>  <Barcode>
0110706041

>  <Well>
A07

>  <Plate_ID>
816280-03

>  <MW>
223.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H6FN3OS/c10-7-4-2-1-3-6(7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
