
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   12.4406   -1.2465   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    1.3145   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5252   -1.1012   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    1.3080   -0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9188   -1.1035   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    0.1038    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891   -0.8049    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8196    0.1061    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104    0.1053   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2465   -0.4683   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    0.1002    0.2718 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6553    0.5209   -0.8527 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0485   -1.4580    0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    0.2402   -0.4608 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6435   -1.2372   -1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7767   -0.3144    0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9941   -2.0762    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9853    2.2648   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -2.0501    0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    2.2505   -0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4247   -2.0602   -0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.8978    1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5726   -1.7485   -0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3 19  1  0  0  0  0
  4  2  2  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  3  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  3  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z19234337

>  <Barcode>
0110705765

>  <Well>
H06

>  <Plate_ID>
816280-02

>  <MW>
191.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
