
    alatis_output_mol

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.1487   -2.9709   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    0.7575   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    1.4603   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577   -1.3929   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6834   -2.6353   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505   -0.6625   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554    0.7057    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182   -0.6840    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949   -0.0562    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243   -1.2757   -0.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889    1.0939    0.0692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249   -1.1534    0.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567   -3.5418   -0.1928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112   -0.0919    0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7826   -2.0817   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -3.5342   -1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4296   -3.5881    0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283    1.3364   -0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640    2.5430   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -2.4733   -0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181   -0.6496   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585    2.0302    0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8222   -2.1162    0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7 11  1  0  0  0  0
  8  7  2  0  0  0  0
  8 12  1  0  0  0  0
 10  6  1  0  0  0  0
 10 21  1  0  0  0  0
 11  9  1  0  0  0  0
 11 22  1  0  0  0  0
 12  9  1  0  0  0  0
 12 23  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID>
Z26794305

>  <Barcode>
0110705248

>  <Well>
A11

>  <Plate_ID>
816280-02

>  <MW>
191.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H9N3O2/c1-5(13)10-6-2-3-7-8(4-6)12-9(14)11-7/h2-4H,1H3,(H,10,13)(H2,11,12,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	13
3	C	12
4	C	6
5	C	7
6	C	9
7	C	5
8	C	4
9	C	1
10	N	8
11	N	3
12	N	2
13	O	11
14	O	10
15	H	21
16	H	22
17	H	23
18	H	20
19	H	19
20	H	17
21	H	18
22	H	16
23	H	15


> <ALATIS_Mixture_Map>

$$$$
