
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   10.0099   -1.0480   -1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999   -1.2315   -1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052    1.0982   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7948    1.1126   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166   -0.1960    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5003   -1.2693   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371   -0.1207   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4901   -0.0849   -0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.2523    0.2096 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8906   -0.0271   -0.4518 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8478   -1.2709   -0.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4170   -0.8950   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824   -0.1774   -1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4895   -1.9301   -1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1318   -1.3980   -2.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2713   -2.1169   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8635    2.0360    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3279    2.0578   -0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -2.2573   -0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1610    0.7972   -0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  3  2  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  3  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10  8  1  0  0  0  0
 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <ID>
Z219104216

>  <Barcode>
0110705914

>  <Well>
D11

>  <Plate_ID>
816280-01

>  <MW>
147.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H9N3/c1-2-10-8-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
