
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7269    1.6671   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -2.9534    2.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542   -2.3667    2.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965   -2.1723    1.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2956   -0.9965    2.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    1.1678    0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -0.7820    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613   -0.2103    1.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340   -0.0667    0.1616 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703    1.8274    1.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045    1.1127    1.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    1.6180   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    2.7044   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515    1.0808   -1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0799   -4.0220    2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -2.9714    3.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333   -2.6559    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0465   -0.5349    3.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796   -0.6142   -0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951    1.6048    1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  4  2  0  0  0  0
  2 15  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
  9 19  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <ID>
Z57040482

>  <Barcode>
0110705928

>  <Well>
B01

>  <Plate_ID>
816280-01

>  <MW>
151.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
