
    alatis_output_mol

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1610   -2.8806   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135   -3.6796   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9307    0.7780   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    1.0643   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115   -0.8615   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233   -2.4938   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -1.4661   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271   -0.6432   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -3.0424   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6270   -1.6725   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415   -0.1404    0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2028   -1.1871    0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7519   -3.6444   -0.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9157   -1.2380   -0.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -3.3659   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449   -4.7616   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7339    1.5004   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9565    1.9971   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    0.2134   -0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614   -2.5333    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2603   -2.5377   -0.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0392   -0.3245    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  1  2  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  3  2  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5 19  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 13  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z2204875953

>  <Barcode>
9990529625

>  <Well>
A07

>  <Plate_ID>
816280-04

>  <MW>
188.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
