
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.8286    1.3271   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577   -0.0646    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    1.1918    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2541    1.4086   -2.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722   -1.3354   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416   -0.1036   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441    1.1814   -0.2855 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919    1.5895   -3.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740   -1.2604    0.3529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196    2.2566   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2918    0.5302   -2.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    0.0194    1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003   -0.1560   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001    2.0589   -0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727    1.3281    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995    2.2512   -1.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8114    0.4858   -2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -2.2031    0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605   -1.5186   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344   -0.0651    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881   -0.2298   -1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097    1.6146   -4.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  1  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  2  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  3  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8  4  1  0  0  0  0
  8 22  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <ID>
Z2856434843

>  <Barcode>
9990531702

>  <Well>
D07

>  <Plate_ID>
816280-06

>  <MW>
131.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
