
    alatis_output_mol

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8342   -0.4522   -1.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253    1.2354   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -1.1620   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540    1.1319    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6651   -1.1619    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8926    0.1181   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    0.0635   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853   -0.5611   -1.3642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4173   -0.0407    0.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1532    0.5916   -1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1812   -0.9862   -2.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3261   -0.9037   -0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    2.2140   -0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -2.0991   -0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3806    2.0188    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -2.0934    0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2226    1.1644   -0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3013   -0.3518    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563   -0.1335   -2.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <ID>
Z2856434786

>  <Barcode>
0110770192

>  <Well>
G08

>  <Plate_ID>
816280-08

>  <MW>
122.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
