
    alatis_output_mol

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1892   -0.7153   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823    0.6847    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3225    0.0461    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9179   -1.4840    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -1.0994    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.5152   -0.1510 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1572    2.0520   -1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870    0.7070   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1857    2.9148   -2.0017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    1.1621   -0.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744   -0.6647   -0.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164    1.7952   -2.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756   -0.6351   -1.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658   -1.2757    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432    0.5789    1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    1.2012    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4009    0.1287    0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884   -2.3395   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -1.8527    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8299   -2.1469    0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    2.3853    0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7335    2.8704   -1.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263    3.1951   -2.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <ID>
Z1324853681

>  <Barcode>
9990531986

>  <Well>
D03

>  <Plate_ID>
816280-05

>  <MW>
165.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
