
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2794    2.8597    0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -1.0226   -1.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -0.2241    1.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864    0.3892    2.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529    2.4299    2.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4679    1.9188    1.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347   -0.8538   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3156    0.5571    1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    1.6992    3.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643   -0.0336    0.1028 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638   -1.3725   -1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633    2.3905   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295    3.2422    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547    3.6993    0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642   -0.3548   -0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383   -0.7742   -2.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289   -2.0578   -0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -1.2907    1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -0.1775    3.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038    3.4859    2.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0282    0.2635   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  7  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  3  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10 21  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z1148747945

>  <Barcode>
0110705776

>  <Well>
G08

>  <Plate_ID>
816280-02

>  <MW>
150.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
