
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4893    0.4225   -2.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7364    4.2027   -2.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    4.5600   -1.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9518    2.8578   -2.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026    3.5704   -1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3665    1.1903   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865    1.8467   -2.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    2.2064   -1.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467    0.7987   -1.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    1.3976   -2.4218 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007   -0.0331   -0.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -0.2664   -2.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218    0.3433   -3.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4089    0.0917   -2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386    4.9692   -3.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5786    5.6075   -1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7298    2.5968   -3.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2433    3.8706   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1202    1.5878    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    0.2777   -0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271    2.1072   -2.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1761    1.1420   -2.8420 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  4  2  0  0  0  0
  2 15  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <ID>
Z52214433

>  <Barcode>
0110705989

>  <Well>
E11

>  <Plate_ID>
816280-03

>  <MW>
149.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
