
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.8199    0.7251   -2.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0017    0.6687   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7122   -2.3421    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590   -0.9032    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802   -3.4640    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723   -2.0546    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981   -0.0363   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844   -1.0397    0.5937 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4064    1.0371   -0.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4946   -3.3250    0.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992   -0.3676   -0.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4810    1.4793   -2.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    0.9752   -2.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   -0.2452   -2.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451    0.4324   -0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7857    1.6391   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -2.4107    2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -2.4368    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6244    0.0585    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4511   -0.9518    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237   -4.4363    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023   -3.4723   -0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484   -2.0069    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182   -2.0037   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  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
  5 22  1  0  0  0  0
  6  4  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <ID>
Z31721097

>  <Barcode>
9990531727

>  <Well>
B08

>  <Plate_ID>
816280-06

>  <MW>
159.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
