
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.8803    2.1118   -2.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -4.4203   -3.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -3.2584   -2.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -3.9367   -2.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4916   -1.9938   -2.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495   -1.6778   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4581    0.7445   -1.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293   -2.4619   -2.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378   -0.2957   -2.3189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214    0.5899   -0.8874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236   -2.3919   -4.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6781    2.0639   -2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2438    2.6812   -1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195    2.6214   -2.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568   -5.3432   -2.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349   -4.6109   -4.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713   -3.1935   -3.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9249   -3.3941   -1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601   -4.0466   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -4.5150   -2.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361   -1.2942   -3.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201   -1.5066   -1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424   -2.1359   -1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -1.7008   -0.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9249   -0.0948   -2.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3695   -1.4546   -4.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  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
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9 25  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
>  <ID>
Z1203329531

>  <Barcode>
0110705851

>  <Well>
A05

>  <Plate_ID>
816280-02

>  <MW>
157.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H15NO2/c1-7(10)9-6-8(11)4-2-3-5-8/h11H,2-6H2,1H3,(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
