
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
   -1.0647    0.1884   -1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158    2.0539    3.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984    3.9666    2.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    1.2358    2.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    3.1495    1.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927    4.3813    4.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7243    1.2946   -0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3119    3.4396    3.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253    1.7828    1.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    4.0167    4.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190    3.8909    3.4478 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966    0.9272    0.7626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    2.3967   -0.3418 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    3.8990    5.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920   -0.7220   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412    0.5340   -2.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -0.0373   -1.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    1.5950    4.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677    5.0305    2.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950    0.1685    2.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965    3.6261    1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0962    5.3867    3.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883    4.4535    5.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100    3.7894    2.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2811    3.6048    3.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927   -0.0407    0.7771 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  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  9  2  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12  7  1  0  0  0  0
 12 26  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z87615031

>  <Barcode>
0110706036

>  <Well>
A12

>  <Plate_ID>
816280-03

>  <MW>
192.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12N2O2/c1-7(13)12-9-4-2-8(3-5-9)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
