
    alatis_output_mol

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.1054    1.0346   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -2.4905    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9515   -1.1496    0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418   -3.5989    0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5807   -2.3173    1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3471   -1.2422    0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    0.0074    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117   -3.5385    1.2678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269    1.0281   -0.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703   -0.1493    0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.8696    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572    1.2246   -1.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7339    1.8969    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620   -2.6056   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557   -0.1933    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637   -4.5980    0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5880   -2.3027    1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  2  0  0  0  0
  3 15  1  0  0  0  0
  4  2  2  0  0  0  0
  4 16  1  0  0  0  0
  5  3  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <ID>
Z19684186

>  <Barcode>
9990531970

>  <Well>
F11

>  <Plate_ID>
816280-05

>  <MW>
137.14

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
