
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    5.1391    0.5234   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239    0.0150    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106    1.1456    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444   -1.2535    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6885    0.9229   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848    1.2048    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7652   -1.2208    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103    2.5083    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4919   -2.5279    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    3.6673    0.0112 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8585   -2.5259    0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8052   -0.1489   -0.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998    2.1167   -0.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    2.5427    0.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775   -3.5881    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6105    0.9374   -0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    0.9462    0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772   -0.5593   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070    0.0830    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    2.0665    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1469   -2.2199    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217    3.7366    0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999    4.5380    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4465   -1.7060    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130   -3.4296    0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.0818   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 10  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13  8  1  0  0  0  0
 13 27  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z33486130

>  <Barcode>
0110705221

>  <Well>
H10

>  <Plate_ID>
816280-02

>  <MW>
221.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11N3O3/c1-5(14)13-8-3-6(9(11)15)2-7(4-8)10(12)16/h2-4H,1H3,(H2,11,15)(H2,12,16)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	6
3	C	9
4	C	10
5	C	8
6	C	1
7	C	2
8	C	5
9	C	4
10	C	3
11	N	15
12	N	14
13	N	7
14	O	13
15	O	12
16	O	11
17	H	27
18	H	26
19	H	25
20	H	17
21	H	19
22	H	20
23	H	23
24	H	24
25	H	21
26	H	22
27	H	18


> <ALATIS_Mixture_Map>

$$$$
