
    alatis_output_mol

 25 24  0  0  0  0  0  0  0  0999 V2000
    3.3910   -0.1668   -1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    1.6547   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    0.7885    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538   -0.1496    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0007    1.5697   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7544    0.7301   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260   -0.7183   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052   -1.7845   -1.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2407    0.7618   -0.2988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577   -2.2490   -1.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8699   -2.2621   -2.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4057   -0.1692   -1.1770 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278   -0.9671   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    0.3690   -2.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656   -0.6982   -1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3437    1.0619   -0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856    2.2682   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465    2.3309    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002    1.4319    1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501   -0.3907    0.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839    2.2815    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722    2.1649   -1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -1.9264   -3.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598   -0.9716    2.5290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4868   -1.3864    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  9  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  1  0  0  0  0
  3  6  2  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 11 23  1  0  0  0  0
 12  7  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <ID>
Z359352902

>  <Barcode>
0110705798

>  <Well>
E10

>  <Plate_ID>
816280-02

>  <MW>
205.64

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H11NO3.ClH/c1-9(2)5-6-3-4-7(12-6)8(10)11;/h3-4H,5H2,1-2H3,(H,10,11);1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	12
2	 C 	13
3	 C 	6
4	 C 	5
5	 C 	8
6	 C 	3
7	 C 	1
8	 C 	4
9	 N 	9
10	 O 	7
11	 O 	10
12	 O 	2
13	 H 	20
14	 H 	22
15	 H 	21
16	 H 	25
17	 H 	24
18	 H 	23
19	 H 	15
20	 H 	14
21	 H 	16
22	 H 	17
23	 H 	18

molecule_2
new index	atom name	original index
1	 Cl	11
2	 H 	19


$$$$
