
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.5365    2.0674   -2.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    1.4179    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974   -0.8408    1.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    1.9056    1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954   -0.3490    0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9055   -0.4678    2.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    0.9610   -1.0874 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7929    0.0401    2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    1.0257    0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2449    0.0308   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8006   -0.8803    3.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190   -0.0835    0.5148 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -0.5955   -1.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4969    1.6121    0.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9742    1.6604   -2.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    2.6907   -1.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    2.7292   -2.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2706    2.1194    2.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0409   -1.9170    1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3141    2.9787    1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1088   -1.0652    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110    0.3762   -1.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    0.5313    1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4332   -0.6439    0.7295 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
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  2  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  8  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9 14  1  0  0  0  0
 11  6  3  0  0  0  0
 12 10  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <ID>
Z19739650

>  <Barcode>
0110705996

>  <Well>
E04

>  <Plate_ID>
816280-03

>  <MW>
190.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	11
3	C	13
4	C	12
5	C	10
6	C	3
7	C	4
8	C	8
9	C	9
10	C	1
11	N	2
12	N	7
13	O	6
14	O	5
15	H	24
16	H	22
17	H	23
18	H	19
19	H	21
20	H	20
21	H	18
22	H	15
23	H	16
24	H	17


> <ALATIS_Mixture_Map>

$$$$
