
    alatis_output_mol

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.4968   -0.7858   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908    0.6709    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197    1.3094    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1151   -0.6960   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1731   -0.6698   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476   -1.4033    0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    0.6672    0.0921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432   -1.3836   -0.1084 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032   -1.2837   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609   -0.9024   -1.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035    0.2775   -0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    1.1995    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    2.3883    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129   -1.3029   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.3315   -0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  6  5  1  0  0  0  0
  6 15  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
M  END
>  <ID>
Z54628578

>  <Barcode>
0110706047

>  <Well>
A01

>  <Plate_ID>
816280-03

>  <MW>
109.13

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
