
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
   -0.0485    1.1039    2.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    2.3914    0.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825   -3.9865    1.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4634   -2.8734    1.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090   -4.1599    2.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5687   -1.9437    0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -3.2190    1.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024   -1.2117    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1794   -2.1088    0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806    0.1318    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -1.0873    0.3491 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451    1.1417    1.0205 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    0.2765   -1.0193 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5978    1.3597    3.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438    1.8521    2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    0.1330    2.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    2.3629   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213    2.5918    1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    3.2000    0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737   -4.7112    2.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5344   -2.7171    1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2268   -5.0221    2.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9685   -1.0678    0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593   -3.3939    1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785   -1.5443    1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288   -1.9416   -0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6923   -0.7217   -0.5418 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 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5 22  1  0  0  0  0
  6  9  2  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
 11  8  1  0  0  0  0
 11 27  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z104584152

>  <Barcode>
0110705959

>  <Well>
H08

>  <Plate_ID>
816280-03

>  <MW>
178.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	7
2	C	8
3	C	13
4	C	11
5	C	12
6	C	10
7	C	9
8	C	3
9	C	6
10	C	1
11	N	4
12	N	2
13	O	5
14	H	19
15	H	18
16	H	17
17	H	20
18	H	21
19	H	22
20	H	27
21	H	25
22	H	26
23	H	24
24	H	23
25	H	14
26	H	15
27	H	16


> <ALATIS_Mixture_Map>

$$$$
