
    alatis_output_mol

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.2492    2.2385    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7197   -2.5459   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479   -3.2919   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582   -1.1538   -0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -2.6451   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223   -0.5060   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.9926    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2336   -1.2437   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451   -0.5626    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.8137    0.0370 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334   -1.2006    0.1701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.1706    0.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9762    2.2593   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    2.3220    1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968    3.1108    0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806   -3.0499   -0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5925   -4.3780   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5719   -0.5705   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091   -3.2473    0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934    0.5820   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4 18  1  0  0  0  0
  5  8  2  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <ID>
Z57791725

>  <Barcode>
0110706303

>  <Well>
C09

>  <Plate_ID>
816280-07

>  <MW>
160.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8/h2-6H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
