
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.8398    3.7212    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997   -0.0177    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967    1.1694    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569   -1.2856   -0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352   -0.1581   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    1.3681   -1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727    1.2599   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871    2.3998    0.3322 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307    1.5030   -2.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878   -1.2638    0.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    4.4690    0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    3.9782   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    3.8236    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526    0.0023    1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -0.0617   -0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959    1.9919   -0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323    1.2495    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -2.1564    0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607   -1.4405   -1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4409   -0.2227    0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453   -0.2504   -1.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613    0.4863   -2.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117    2.2366   -2.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    2.3788   -0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307    1.6123   -3.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  3  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  8  7  1  0  0  0  0
  8 24  1  0  0  0  0
  9  6  1  0  0  0  0
  9 25  1  0  0  0  0
 10  4  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID>
Z1169060901

>  <Barcode>
9990531686

>  <Well>
E10

>  <Plate_ID>
816280-06

>  <MW>
145.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H15NO2/c1-8-7(6-9)2-4-10-5-3-7/h8-9H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
