
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.6321    2.5485    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5042   -4.3460    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636    0.0236    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3382    1.0937    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2860   -2.8633    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5023   -1.1213    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9077   -2.4513    0.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    0.6514    0.0031 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -0.6843    0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.0534    0.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123    2.7284    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119    3.0271    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    3.0266   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540   -4.8849    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679   -4.6279   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652   -4.6185    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405    0.1167    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893   -3.1640    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -1.2336    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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  5  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  6  2  0  0  0  0
  3 17  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 18  1  0  0  0  0
  8  4  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  9 19  1  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <ID>
Z239136710

>  <Barcode>
0110705822

>  <Well>
C10

>  <Plate_ID>
816280-02

>  <MW>
139.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
