
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    3.1489    2.4318   -1.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -0.0872    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7227    1.1937    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011   -1.3546   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4953   -0.0980   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.2581   -1.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346    1.2602   -2.2302 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3302    1.3202   -3.7004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135    1.1520   -0.2300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8695   -1.2562    0.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    2.4124   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199    2.3888   -0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    3.3939   -1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533    0.0212    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3396   -0.1959    0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2156    2.0586   -0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761    1.3550    1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -2.2182    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5480   -1.5577   -1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067   -0.0376    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5971   -0.2418   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070    2.2000   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3263    0.4581   -2.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8350    0.3264   -1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697    0.4427   -4.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    1.4036   -4.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  9  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  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  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  6  1  0  0  0  0
  7 24  1  0  0  0  0
  8  7  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10  4  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID>
Z818732104

>  <Barcode>
9990531687

>  <Well>
E09

>  <Plate_ID>
816280-06

>  <MW>
144.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H16N2O/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6,8H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
