
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.6436    2.2264   -1.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472    1.2569    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465   -0.0286   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4697    0.0351    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -2.4966    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    2.2602   -1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7063   -1.2245   -0.2377 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7556    1.2427   -0.2158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184   -2.5924   -0.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5109    3.2143   -1.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572   -1.1952    0.2371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097    2.2913   -2.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791    3.0947   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2127    1.3372   -1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    2.1304   -0.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437    1.3121    1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048   -0.0797   -1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3670   -0.0595    0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945    0.0775    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999    0.0088   -0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -2.5139    1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -3.3783   -0.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6951   -1.2588   -1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0649   -3.4398    0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  2  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  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  7 23  1  0  0  0  0
  9  5  1  0  0  0  0
  9 24  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <ID>
Z1454840342

>  <Barcode>
0110706306

>  <Well>
C06

>  <Plate_ID>
816280-07

>  <MW>
159.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13NO3/c1-6(10)8-2-3-11-7(4-8)5-9/h7,9H,2-5H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
