
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.6748    0.9122    1.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0201    0.8300   -0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271   -3.6272   -0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2571   -4.9295   -0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6758    0.5088    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -2.8460   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800   -1.3790   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -4.8787   -0.3881 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666   -0.8998   -0.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021   -3.6323   -0.2539 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840   -0.6601   -0.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834    1.9972    1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427    0.6183    2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007    0.4388    2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0308    0.5257   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2265    1.9042   -0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8388    0.3040   -0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -3.2667   -0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290   -5.8659   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964    1.0837   -0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -5.6544   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854   -1.6134    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  3  2  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
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9  7  1  0  0  0  0
  9 22  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z381729066

>  <Barcode>
0110705955

>  <Well>
H04

>  <Plate_ID>
816280-03

>  <MW>
153.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
