
    alatis_output_mol

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3815    3.5913   -0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053    3.5178    0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228   -1.1631   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004    2.4207    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -0.6084   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -1.3696   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472    1.0438    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3208   -0.6093   -0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846   -0.1096    0.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8463    0.7839    0.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447   -2.5953   -0.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9854    4.3184   -1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028    3.4377   -0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880    3.3086    1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954    4.1989    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548   -2.1912   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838    2.4076    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    0.4004   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2150   -1.0699   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1934   -0.1598    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  6  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9  3  1  0  0  0  0
  9 20  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
M  END
>  <ID>
Z1407672867

>  <Barcode>
0110705805

>  <Well>
E03

>  <Plate_ID>
816280-02

>  <MW>
151.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	8
2	C	9
3	C	5
4	C	6
5	C	1
6	C	7
7	C	3
8	N	11
9	N	4
10	N	2
11	O	10
12	H	15
13	H	16
14	H	17
15	H	18
16	H	13
17	H	14
18	H	19
19	H	20
20	H	12


> <ALATIS_Mixture_Map>

$$$$
