
    alatis_output_mol

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.1616    3.4990   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -0.7284   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -1.4277   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779    0.6684   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6027    1.1299    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853   -0.0013    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    0.7221   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350   -0.6740   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    1.4220   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -1.0847    0.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9305    2.7906   -0.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620    3.2770    0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203    3.2914   -0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    4.5688   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844   -1.2822   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9235   -2.5124   -0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    1.1486   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9599    2.1512    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4591   -0.1268    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471   -2.0501    0.0150 H   0  0  0  0  0  0  0  0  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
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 15  1  0  0  0  0
  3  8  2  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  5  2  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 10 20  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
>  <ID>
Z1429867185

>  <Barcode>
0110705777

>  <Well>
G07

>  <Plate_ID>
816280-02

>  <MW>
147.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
