
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0212   -0.9509    2.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -2.8502   -4.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193   -2.7314   -4.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939   -2.2477   -3.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -2.0075   -2.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -1.5166   -2.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652    0.7849    0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9705   -1.3870   -2.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1661    0.1033   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4501   -0.6595   -1.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807    0.2823   -0.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456   -0.0893    1.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5802   -0.3731    3.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -1.6312    1.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337   -1.5464    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -3.4110   -5.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1905   -3.1985   -4.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -2.3339   -3.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -1.9283   -2.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854   -1.0686   -1.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    1.5480    0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    1.3055    1.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5535   -0.6916   -0.8745 H   0  0  0  0  0  0  0  0  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
  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  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  1  0  0  0  0
 10 23  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <ID>
Z31504642

>  <Barcode>
0110706334

>  <Well>
A02

>  <Plate_ID>
816280-07

>  <MW>
165.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
