
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.8108    4.1618    1.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2775   -0.0520    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296    2.5148    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    1.0600    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3797   -1.1473   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204   -2.5679   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459   -3.4249    0.0017 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961   -0.7167   -0.0254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725   -2.9908   -0.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    2.7814    1.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    0.6662   -0.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    4.3060    2.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4221    4.4901    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    4.7597    1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570   -0.0801    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2967    2.8046   -0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2072    3.0819    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908   -3.0612    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770   -4.4193    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <ID>
Z1273141646

>  <Barcode>
0110705802

>  <Well>
E06

>  <Plate_ID>
816280-02

>  <MW>
156.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
