
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9894   -2.2302   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5221    0.3159   -0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -0.2908   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377    1.4893    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    3.0670   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -0.7509   -0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1334    0.8502   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7948    0.1874    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214    1.0497   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481    1.9055    0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -0.1230    0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9428    2.0549   -0.4044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    1.6931   -0.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2950    3.1817    0.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142   -2.6069   -1.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6466   -2.7542    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0317   -2.5014   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9917    0.8785   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5271   -0.7420   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0847    0.4823    0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649   -0.9610   -0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588    2.2064    0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189    3.5941    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5227    3.5525   -1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135   -1.0786   -0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9  3  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 11 25  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z1635496816

>  <Barcode>
9990532012

>  <Well>
B05

>  <Plate_ID>
816280-05

>  <MW>
193.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
