
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.6073   -5.3292    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.2730   -3.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7197   -2.9763   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -0.5488   -2.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.5954   -2.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071   -1.4750   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754   -3.8534   -0.0104 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1347   -1.0136   -1.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889   -1.0253   -1.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7664   -3.5264    1.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039   -5.6334   -0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496   -5.5497    0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5117   -5.9467    0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302    0.1054   -4.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -3.2262   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033   -3.2012    0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -0.4305   -2.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532   -0.5535   -2.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643   -0.9163   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -1.1791    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5835   -3.7035   -0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204   -2.7636    0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  5  2  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  2  1  0  0  0  0
  4  8  2  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  3  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
 10  7  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <ID>
Z1613492358

>  <Barcode>
9990531667

>  <Well>
G05

>  <Plate_ID>
816280-06

>  <MW>
140.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
