
    alatis_output_mol

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.6200   -4.1129   -1.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1822   -3.7812   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627    0.5855   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -0.7820   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015   -1.5094   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536   -2.8792    0.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.7450   -0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2957   -1.3874   -0.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2226   -0.4377   -0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906   -0.9447   -0.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990   -3.2093   -1.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8134   -4.6059   -1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -4.7847   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8808   -4.6921    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -3.3278    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4578    1.4114   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087   -3.2483   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392    1.5961    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6 17  1  0  0  0  0
  7  3  1  0  0  0  0
  7 18  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <ID>
Z755044716

>  <Barcode>
9990532027

>  <Well>
A05

>  <Plate_ID>
816280-05

>  <MW>
140.15

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
