
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.6032    0.0402    1.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148   -0.1399   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7707    1.1628    0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035    1.3386   -1.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467    2.6388   -2.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -1.3439   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3388   -0.0371    0.2238 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8418   -1.3561    0.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504    1.2027   -0.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965    2.6556   -3.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    0.9491    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853    0.0319    2.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073   -0.8154    2.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -0.2055   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225   -0.1073    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196    2.0259   -0.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162    1.2930    1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638    0.4915   -2.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737    1.3132   -1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358    2.7142   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274    3.5129   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6136   -1.5148   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742   -2.2033    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3304   -0.0882   -0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635   -1.3397    1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995    3.4731   -4.0625 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  3  1  0  0  0  0
  2  8  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  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  4  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
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8  6  1  0  0  0  0
  8 25  1  0  0  0  0
 10  5  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
>  <ID>
Z1741794237

>  <Barcode>
9990531680

>  <Well>
F09

>  <Plate_ID>
816280-06

>  <MW>
144.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H16N2O/c1-7-6-8-2-3-9(7)4-5-10/h7-8,10H,2-6H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
