
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.0913    2.3551   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1704   -0.6861   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1419    0.7071   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819   -1.4240   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.4048   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2507   -0.7427   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519    0.6489   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6258   -1.1198   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1658   -2.4864   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5316   -2.5549   -0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -0.0359   -0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758    1.0053   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4816   -3.5052   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840    2.3318   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    2.8616    0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    2.8622   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1237   -1.2093   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785    1.2606   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -2.5108   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9157    2.4899   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0619   -1.6916   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854   -3.4544   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  2  0  0  0  0
  7 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID>
Z2697514548

>  <Barcode>
0110770258

>  <Well>
B11

>  <Plate_ID>
816280-08

>  <MW>
175.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
