
    alatis_output_mol

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.4163   -3.1863    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118   -1.6264   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003   -3.0033   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3611   -0.8450   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420   -3.5791   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0133    1.4335   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0642   -1.4046   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659   -2.8086    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695   -0.4407    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    0.7680    0.5952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.4379    0.8236 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928   -3.6492    0.1248 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    0.7444   -0.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715   -2.5264   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4836   -2.7443    1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -4.0612    0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838   -1.1554   -0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827   -3.6317   -0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    0.2379   -0.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670   -4.6667   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    2.4295   -0.6149 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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z1359419878

>  <Barcode>
9990532006

>  <Well>
C02

>  <Plate_ID>
816280-05

>  <MW>
176.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
