
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.4567    4.4878    1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    3.8602   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7584   -0.2546    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630    0.6334   -1.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1257    2.1342    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169    0.8417   -0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268    1.0422   -0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4128    3.4258    0.3624 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0706    1.8305    1.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7301    1.0040   -1.8825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2806    0.4429    0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251    5.1231    1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317    4.0956    2.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4583    5.0827    1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2434    4.5254   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380    4.4085   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    3.0323   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989   -0.2981    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913   -1.2023   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631    0.2992   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930    1.1815   -0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    0.4238    1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  3  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
>  <ID>
Z1874937335

>  <Barcode>
0110705853

>  <Well>
A03

>  <Plate_ID>
816280-02

>  <MW>
157.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11NO3/c1-8(2)5(9)7(3-4-7)6(10)11/h3-4H2,1-2H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
