
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.3088   -4.7575    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1936    4.6475   -1.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650    4.2659   -2.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129    3.6650   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342    2.9212   -2.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6973    1.2858    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269    0.0354   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    0.1167    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190   -2.3991    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171   -1.1335   -0.3341 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1087    2.3184   -0.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    1.9502   -2.0209 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330    1.3713    0.0285 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -3.5776   -0.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350   -1.1348    0.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235   -5.6131   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477   -4.7188    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -4.8925   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9752    5.6921   -1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751    4.9997   -3.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    3.9527    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602    2.5704   -3.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636    2.1656    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830    1.2292    1.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -0.0523    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186    0.0739   -1.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211    0.0016    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681    0.1690   -0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.4158   -0.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768   -2.4119    1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584   -1.1740   -1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  6  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10  8  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z1272480091

>  <Barcode>
0110706314

>  <Well>
B03

>  <Plate_ID>
816280-07

>  <MW>
208.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	15
4	C	9
5	C	11
6	C	7
7	C	8
8	C	3
9	C	12
10	C	6
11	C	2
12	N	4
13	N	1
14	O	10
15	O	5
16	H	27
17	H	28
18	H	29
19	H	30
20	H	31
21	H	23
22	H	24
23	H	19
24	H	20
25	H	21
26	H	22
27	H	16
28	H	17
29	H	25
30	H	26
31	H	18


> <ALATIS_Mixture_Map>

$$$$
