
    alatis_output_mol

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.7442    0.8404   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1477   -0.6773   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908    0.6896   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021   -1.8082    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -0.8966    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.4896    0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0761   -2.5528    0.6310 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    1.2118    0.1844 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -1.5023    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244    1.2879   -0.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523    1.2375    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    1.2849   -1.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097   -0.2326   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261   -1.1450   -0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    1.3517   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    2.1854    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  3  1  0  0  0  0
  2  9  2  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  3  0  0  0  0
  8  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <ID>
Z1896597864

>  <Barcode>
0110705837

>  <Well>
B06

>  <Plate_ID>
816280-02

>  <MW>
134.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H6N4/c1-8-6-5(4-7)9-2-3-10-6/h2-3H,1H3,(H,8,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
