
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.9797    4.7168   -2.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    4.6638   -1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919    3.6622   -3.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    3.2712   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814    2.2605   -3.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7626    1.4152   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524    2.6632   -1.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    2.1491   -1.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2285    1.4381   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6587    3.6985   -2.0119 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115    2.0960   -1.6012 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    0.8133    0.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235    5.7133   -3.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    4.5588   -2.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    4.9579   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1024    5.3947   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    3.6850   -4.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6439    3.9063   -3.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    3.2679    0.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231    3.0710   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183    1.9858   -3.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    1.5409   -3.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    0.5197   -1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1814    1.3897    0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6973    1.1941   -1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    2.7243   -2.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  3  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9  6  1  0  0  0  0
 11  9  1  0  0  0  0
 11 26  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <ID>
Z56813508

>  <Barcode>
9990529571

>  <Well>
F12

>  <Plate_ID>
816280-04

>  <MW>
166.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
