
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.7855   -1.4406   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1511    0.9138   -1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399    1.9125    1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.9630    0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0777    3.0510    2.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    2.3428    1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    0.0272   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3373    1.1395    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200    3.2939    1.7527 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9944    0.1928   -0.1946 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3007   -2.1022    0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415   -1.7373   -1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652   -1.6155   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093    0.6451   -1.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1126    1.9693   -0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885    0.8226   -2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895    1.7672    1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432    0.0737    0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5902    3.8237    2.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134    2.6083    0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8178    0.2553    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -0.6956   -0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  3  1  0  0  0  0
  5  9  2  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <ID>
Z1259341037

>  <Barcode>
0110706014

>  <Well>
C10

>  <Plate_ID>
816280-03

>  <MW>
136.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
