
    alatis_output_mol

 21 21  0  0  1  0  0  0  0  0999 V2000
   -1.4914   -1.9890    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0024    1.2654   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.4083    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351    0.3944    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994   -1.9087   -0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -1.0399    0.0700 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7396   -0.9314   -0.1602 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -2.0557   -0.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -2.9727    0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409   -1.9868    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -1.8758    0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0549    2.2242    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    1.4693   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888    0.5996   -0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718    0.6555    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    0.4363    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983    0.7079   -0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573   -2.9094   -1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057   -1.4606   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9374   -1.4506    1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -2.6262   -1.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  1  0  0  0
  8  5  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <ID>
Z1002568728

>  <Barcode>
9990531996

>  <Well>
C12

>  <Plate_ID>
816280-05

>  <MW>
115.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
