
    alatis_output_mol

 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.5947   -3.8681   -2.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491   -3.9793   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106   -0.6919    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8945    0.6772    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -0.1030    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3163   -1.2118    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -2.5953   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0647   -3.5233   -0.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116    1.0416    0.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871   -2.7268   -0.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2513   -3.0432   -2.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6029   -3.6388   -2.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9566   -4.7925   -2.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557   -4.1510   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240   -4.8190   -0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -1.2596    0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6073    1.4887    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128    0.0281    0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  3  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <ID>
Z293079056

>  <Barcode>
0110706320

>  <Well>
B09

>  <Plate_ID>
816280-07

>  <MW>
140.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
