
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.7103   -4.5657   -2.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363   -3.6270   -2.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -5.0952   -2.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.7457   -1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847   -4.8147   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4280   -2.6744    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4612   -3.8689   -1.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876   -5.6225   -1.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5359   -3.0051   -0.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5711   -6.9690   -0.8943 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265   -3.2934   -2.7767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126   -2.7850   -2.1395 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453   -3.3594   -0.1481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9748   -3.7806   -0.2946 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4671   -5.5162   -2.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3590   -4.7778   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2761   -3.9537   -3.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888   -3.3257   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8843   -3.4310   -3.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -5.7493   -2.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280   -2.1697   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0669   -1.9836   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128   -5.0875    0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2441   -5.1843   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2736   -1.5861    0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317   -2.9132    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  2  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  8  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z1619978933

>  <Barcode>
0110706330

>  <Well>
A06

>  <Plate_ID>
816280-07

>  <MW>
213.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	13
3	C	10
4	C	12
5	C	9
6	C	7
7	C	5
8	C	8
9	C	1
10	F	11
11	N	4
12	N	2
13	N	6
14	S	3
15	H	25
16	H	24
17	H	26
18	H	22
19	H	23
20	H	19
21	H	20
22	H	21
23	H	17
24	H	18
25	H	15
26	H	16


> <ALATIS_Mixture_Map>

$$$$
