
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
   -1.9629    1.0832   -3.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    1.9003   -1.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212   -0.7251    2.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2718   -2.3239    1.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963   -2.1741   -2.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -1.2265   -3.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466   -1.8023   -1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093    0.1084   -3.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    0.4742   -1.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341   -0.5106   -1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0189   -0.2015    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876   -1.0601    1.1656 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    0.8130    0.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0213    0.8064   -3.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428    1.0619   -4.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026    2.1179   -3.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798    2.1901   -1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464    2.5714   -2.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1717    2.0881   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    0.2648    2.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019   -0.7456    3.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -1.4745    2.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4949   -2.4590    0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197   -2.3699    2.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -3.1364    1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506   -3.1943   -3.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   -1.5249   -4.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091   -2.5324   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  9  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 12  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6  5  1  0  0  0  0
  6  8  2  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <ID>
Z32014663

>  <Barcode>
0110706333

>  <Well>
A03

>  <Plate_ID>
816280-07

>  <MW>
177.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO/c1-8-6-5-7-10(9(8)2)11(13)12(3)4/h5-7H,1-4H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
