
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -4.1548   -6.6757   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8928   -5.6445   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9722   -6.3887    0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4405   -4.3259   -0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227   -5.0700    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054   -2.5766    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3918   -0.0491    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383   -4.0214   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -1.3012    0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492   -1.2813    1.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.9072    1.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3647   -2.4715    0.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    1.0735    1.2423 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -0.2175    1.9159 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   -2.4334    1.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    2.0002    2.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5059   -7.7018   -0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8251   -5.8665   -1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008   -7.1887    0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0400   -3.5340   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072   -4.8638    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1055   -2.0226   -0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273   -2.1549    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    0.1135    0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253   -2.8498   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9304   -2.1224    2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496    1.5999    2.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 13  2  0  0  0  0
  7 24  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12  9  1  0  0  0  0
 12 25  1  0  0  0  0
 13 11  1  0  0  0  0
 15 10  1  0  0  0  0
 15 26  1  0  0  0  0
 16 11  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
>  <ID>
Z111666026

>  <Barcode>
0110706004

>  <Well>
D05

>  <Plate_ID>
816280-03

>  <MW>
217.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
