
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.0704    3.1196    0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851    1.6475   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5502   -1.0206   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    1.5313    0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2689   -1.5476   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7491    0.3443   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    0.5081   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635    0.6458    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603   -0.7181    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716    1.1796    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765   -0.9042   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0822   -1.3608   -0.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -1.7485   -0.9615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942    2.5327    0.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8057    2.7250    1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131    2.9875   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9790    4.1975    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884    1.7078   -1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476    2.5815   -0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -1.6687   -0.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    1.1336    1.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4385    2.5370    1.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1372   -2.6136   -0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7571    0.7248   -0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997    0.6824   -1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425    0.5296    0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -2.3616   -0.1616 H   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12 27  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z1507502062

>  <Barcode>
9990531753

>  <Well>
A04

>  <Plate_ID>
816280-05

>  <MW>
191.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
