
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -5.5383   -3.4822   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4745   -0.7669    0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -3.9446    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803   -3.2239    0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1787   -2.4197   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0605   -3.5068   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212   -2.9807   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701   -2.9807    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -2.3776    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282   -3.2949    0.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728   -1.7477    0.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3902   -4.6619   -0.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6013   -1.9154    0.1893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917   -1.1615    0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498   -4.3296   -0.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9439   -2.5397    0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9866   -4.2984    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8507   -3.5842   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897   -0.8653   -0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -0.7441    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    0.1450    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253   -5.0207    0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184   -3.5216    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088   -1.3696    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -4.2750   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  2  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  5 24  1  0  0  0  0
  6  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10 25  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 12 15  1  0  0  0  0
 13  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z240297434

>  <Barcode>
0110706044

>  <Well>
A04

>  <Plate_ID>
816280-03

>  <MW>
206.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
