
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.7935   -6.4023   -3.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6524   -1.8345   -2.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389   -3.3459   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062   -2.9215   -3.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019   -4.4397   -1.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2478    1.2812   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634   -2.0291   -1.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -4.2268   -3.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5578    0.3907   -1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    0.7617    1.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -0.9659   -0.7611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596    0.9085   -1.9673 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -5.1985   -3.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863   -6.9286   -2.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513   -7.0608   -4.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336   -6.2072   -2.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543   -0.8440   -3.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844   -3.5475   -0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6296   -2.7381   -4.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732   -5.4428   -1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028    2.2792   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685    1.3534   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8581    1.3898    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700    0.8903    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0327   -1.1903    0.1013 H   0  0  0  0  0  0  0  0  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
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  2  2  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 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  2  0  0  0  0
 10  6  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11  9  1  0  0  0  0
 11 25  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z1449748885

>  <Barcode>
0110706245

>  <Well>
H06

>  <Plate_ID>
816280-07

>  <MW>
180.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
