
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.8990   -3.0486    1.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7463   -2.4661   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7754    2.5613    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845    3.3257    1.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9370    0.5934   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1852    0.0131    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722    1.1283    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494   -0.7405    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544   -1.0707    0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    4.6781    1.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378   -2.9793    1.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -4.1031    1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -2.5167    1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131   -3.0151   -0.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906   -2.5347   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679    2.6469   -0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3944    3.0443   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    2.8819    2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    3.3231    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811    1.1233   -0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -0.0954    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3888    5.1276    1.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  3  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <ID>
Z1674937530

>  <Barcode>
9990531656

>  <Well>
H09

>  <Plate_ID>
816280-06

>  <MW>
140.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
