
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.8368   -0.4062    0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.4412   -0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455   -0.5988    0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    1.0823   -1.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490    2.0428    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1710    0.4434   -0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5725    1.8508    1.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0384    0.3862    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9066   -0.2335    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135    0.0549   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    0.8789   -1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7632    0.8728   -0.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5919    1.5316   -1.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9366    1.5776    1.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4962   -0.9225    1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559    0.5967   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9400   -1.2768    1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546    1.7423   -1.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1765    2.8850   -0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254    2.3376    0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2190   -0.5195   -1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6276    1.1724   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5475    2.7687    2.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1762    1.0440    2.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0922    0.2798    0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7767   -0.4750    1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704   -1.1134   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758   -0.5240    1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5298    1.3927   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  5  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  6  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z2856434887

>  <Barcode>
9990529617

>  <Well>
B10

>  <Plate_ID>
816280-04

>  <MW>
193.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	9
4	C	12
5	C	7
6	C	8
7	C	11
8	C	10
9	C	3
10	C	1
11	C	4
12	N	2
13	O	6
14	O	5
15	H	28
16	H	29
17	H	22
18	H	27
19	H	18
20	H	19
21	H	20
22	H	21
23	H	25
24	H	26
25	H	23
26	H	24
27	H	15
28	H	16
29	H	17


> <ALATIS_Mixture_Map>

$$$$
