
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
   -0.8122    5.0755   -3.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    0.5329   -1.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370    2.2893   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8593    1.5010   -2.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    3.2528   -1.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1614   -2.2208    0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259    0.9267   -0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    2.8605   -2.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550   -3.4217   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451   -0.0555    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2287   -4.4078    0.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -1.2690   -0.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -3.5131   -1.6799 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683    0.2460    1.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362    3.6947   -3.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135    5.5213   -2.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    5.5781   -4.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716    5.2350   -3.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5688   -0.5137   -2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183    2.6041    0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537    1.1934   -3.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192    4.2968   -1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674   -1.7297    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495   -2.5479    1.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527   -4.3602    1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183   -5.2215   -0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641   -1.4291   -1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  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  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  2  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 11  9  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 10  1  0  0  0  0
 12 27  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z33546965

>  <Barcode>
0110706271

>  <Well>
F08

>  <Plate_ID>
816280-07

>  <MW>
208.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
