
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.5367    0.0354    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360   -1.7682    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    2.4421    1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975    1.4211    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -0.0116    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8882   -0.8323    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870    1.7405    2.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3795   -1.1915   -0.0132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2858    1.0737    0.1685 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9502    0.5357    0.0524 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459    1.4128    2.9797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884    1.4515    3.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096    1.0635    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -0.4705   -0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496   -0.4729    0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871   -2.4112    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9885   -2.4103   -0.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0080   -1.2724    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    3.0930    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642    3.1064    1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    0.8245    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.9337   -0.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223    1.6541    2.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  3  1  0  0  0  0
  9  5  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
>  <ID>
Z274553586

>  <Barcode>
0110705868

>  <Well>
G12

>  <Plate_ID>
816280-01

>  <MW>
169.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
