
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   10.1244   -0.8527   -0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4630    1.3154   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3033   -1.0888    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    1.2147   -0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6901   -1.1855   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    0.2538    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6757   -1.1817   -0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    0.1610    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4754   -0.0386   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    0.3276    0.3154 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8716   -0.0634   -0.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202   -2.3534   -0.5155 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3016    0.2230   -0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252   -1.3179   -1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -1.2529   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    2.2989    0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -2.0023    0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    2.1314   -0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1221   -2.1813   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3218    0.8387   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  2  0  0  0  0
  3 17  1  0  0  0  0
  4  2  2  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  3  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  3  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 11  9  1  0  0  0  0
 11 20  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <ID>
Z30612220

>  <Barcode>
9990531951

>  <Well>
G09

>  <Plate_ID>
816280-05

>  <MW>
160.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
