
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
   -4.3162   -3.8980    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588    1.0333   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9569    0.6385   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870   -2.5506    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -3.9082    0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006   -1.1117    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -0.0543    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183   -0.7270    0.0031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -2.6730    0.0158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706   -4.9553    0.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7179   -2.8817    0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6762   -4.4204   -0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6735   -4.4128    0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7474    2.0436   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855    1.1912   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -3.0600   -0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948   -3.0517    0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -1.3491    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606   -1.8123    0.0170 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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  2  2  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  8  3  1  0  0  0  0
  8  6  1  0  0  0  0
  8 18  1  0  0  0  0
  9  4  1  0  0  0  0
  9 19  1  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <ID>
Z1203191681

>  <Barcode>
0110705775

>  <Well>
G09

>  <Plate_ID>
816280-02

>  <MW>
139.16

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H9N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-3H,4H2,1H3,(H,7,8)(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
