
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.0941    1.5775   -1.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3127   -4.8428    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940    1.3713   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8569   -2.3688    0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0028   -1.2712    0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0819   -3.8365    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3973   -3.6639    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -1.4327    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574   -2.7377   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.0394   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704   -0.2384    0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048   -3.0770   -0.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8221   -0.8815   -1.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4268    2.6175   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8849    0.9318   -0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704    1.3437   -2.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -5.7802    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9863   -4.8935   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059   -4.7674    1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613    1.5633    0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413    2.0772   -0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -2.2036    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -0.2815    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076   -4.8344   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    0.5915    0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949   -2.2929   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8 11  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 25  1  0  0  0  0
 12  9  1  0  0  0  0
 12 26  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z33452106

>  <Barcode>
0110706025

>  <Well>
B02

>  <Plate_ID>
816280-03

>  <MW>
179.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
