
    alatis_output_mol

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1630   -5.0613   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850    0.7166   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803    1.4242   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959   -0.6806   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018    1.1008    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3627   -0.0456    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331    0.7140    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -1.4232   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.6803   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -2.9184   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186   -3.6186   -0.0842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5075   -1.1128    0.0347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -3.4745   -0.0142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656   -5.5047   -0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755   -5.3827   -0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -5.3847    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    1.2646   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823    2.5104   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646   -1.1660   -0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9867    2.1120    0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4337   -0.1947    0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0022   -3.1370   -0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7623   -2.0957    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  8  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  5  2  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  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 10  2  0  0  0  0
M  END
>  <ID>
Z1273312153

>  <Barcode>
0110705764

>  <Well>
H05

>  <Plate_ID>
816280-02

>  <MW>
174.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
