
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.2655    2.4417   -0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920    0.4386    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0039   -0.3048    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7799    2.2048   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.9146   -0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571   -1.4318   -1.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526    0.9828   -0.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0054    3.0617   -0.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091   -2.6111   -2.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4826   -2.7282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6171    2.5770   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    3.3448    0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158    1.6156    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6891    0.8478   -0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274    0.5070    1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8286   -0.4747   -0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.5170    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6736   -1.7022    0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509    0.4323   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5 18  1  0  0  0  0
  6  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
>  <ID>
Z1868430535

>  <Barcode>
9990531997

>  <Well>
C11

>  <Plate_ID>
816280-05

>  <MW>
143.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9NO3/c1-4(8)7-2-5(3-7)6(9)10/h5H,2-3H2,1H3,(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
