
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.3487    2.7684    1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    1.2718    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6665    0.0010    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3124   -1.4207    0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.4812   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -0.6842   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330    1.3019    0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -1.2055   -0.3209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5058    0.7642    0.0694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3436    0.6311    1.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0905    3.3212    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824    2.8777    2.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    3.2090    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    1.2559    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579    2.1248    0.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255   -0.2345    0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408    0.2255   -0.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1754   -1.1813    1.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5246   -2.4952    0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5851    2.5469   -0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948    1.1403   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5936   -0.8485   -1.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385   -1.1239    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -1.2034   -1.3185 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  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  2  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  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  9  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8 24  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <ID>
Z168883358

>  <Barcode>
9990530736

>  <Well>
A11

>  <Plate_ID>
816280-06

>  <MW>
142.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
