
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.9725    2.3365    0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457   -0.0943    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -3.6228   -0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450   -2.4724   -0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.5024   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826   -1.2288   -0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525    1.1081    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -1.2204   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6294   -2.3321   -1.4042 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826   -0.0183    0.0643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    1.1679    0.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    2.2706    1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919    2.5543    1.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334    3.1782    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317    0.8763    0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7381   -0.6799    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8266   -0.5607   -0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916   -4.5909   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   -2.5962    0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -4.3659   -1.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677   -0.3239   -1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  3  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z1203252645

>  <Barcode>
0110706266

>  <Well>
F03

>  <Plate_ID>
816280-07

>  <MW>
150.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O/c1-7(11)10(2)8-4-3-5-9-6-8/h3-6H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
