
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.3481   -5.3572   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769   -1.5830   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774   -0.3015   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2384   -0.3284    1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356   -3.9342   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281   -0.7867    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420   -2.9859   -0.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582    0.3943   -0.4729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523    0.3783    0.8688 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307   -3.6569   -0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566   -5.4152   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206   -5.8628   -0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -5.8614    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574   -1.3638   -0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8118   -1.3727    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2969   -0.3749   -2.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888   -0.4830    2.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -3.2602   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    0.9021   -0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  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  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  2  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7 18  1  0  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <ID>
Z383325512

>  <Barcode>
0110705239

>  <Well>
D09

>  <Plate_ID>
816280-02

>  <MW>
139.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
