
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.8152   -3.3054    0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959    1.5439   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277   -2.6812    0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533    0.6350   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    1.3629   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421   -0.7268    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599    0.7117   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814   -0.6673    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -1.3458    0.1952 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380   -1.3787    0.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5334   -2.6640    1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930   -4.2745    1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836   -3.4582   -0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    0.9474   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    2.1860    0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    2.1746   -1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543   -3.3329    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -2.6104    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228    1.1149   -0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331    2.4376   -0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9234   -1.3535    0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -0.7736    0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  9  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  0  0  0  0
  9 22  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <ID>
Z1992316287

>  <Barcode>
9990531706

>  <Well>
D11

>  <Plate_ID>
816280-06

>  <MW>
136.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N2/c1-3-9-8-7(2)5-4-6-10-8/h4-6H,3H2,1-2H3,(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
