
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.6131   -2.7433   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6078    1.1162   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236    0.0602   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443   -1.1574   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7971    1.2050   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    2.5799   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.2579   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582   -1.2134   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -0.0155   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003    3.4641    0.9441 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -2.5062   -0.0206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8617   -0.0926   -0.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010   -2.4078    0.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0671   -2.3041   -0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606   -3.8259   -0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6675    0.8506   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4608    1.6801    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698    1.7230   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.0590   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -2.0842   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3245    2.1553   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    2.4269   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    3.0603   -1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    4.3237    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3118    3.0260    1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  2  0  0  0  0
 10  6  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <ID>
Z2856434917

>  <Barcode>
9990531824

>  <Well>
A12

>  <Plate_ID>
816280-05

>  <MW>
167.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
