
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.3964   -0.7248   -3.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1970   -0.6035   -1.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352   -1.4791   -1.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959    2.7108    2.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    1.9489    1.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    2.3481    2.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.3967    1.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1439    0.7970    1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153    1.2249    2.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    0.0193    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0662    0.8192    2.9052 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260   -0.6736   -1.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    0.0322    0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -1.3754   -3.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143    0.1517   -2.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -0.3759   -3.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953    0.2363   -0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306   -0.4899   -2.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -1.5472   -1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4722   -2.3873   -2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.8020   -1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840    3.5825    2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430    2.2423    1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6838    2.9522    3.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5216   -0.5588    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    0.2353    2.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6349    1.5895    3.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  4  1  0  0  0  0
  6  9  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z2092370954

>  <Barcode>
0110705827

>  <Well>
C05

>  <Plate_ID>
816280-02

>  <MW>
178.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	11
3	C	10
4	C	9
5	C	8
6	C	12
7	C	5
8	C	2
9	C	6
10	C	1
11	N	7
12	N	3
13	O	4
14	H	26
15	H	27
16	H	25
17	H	21
18	H	23
19	H	22
20	H	19
21	H	20
22	H	18
23	H	17
24	H	24
25	H	14
26	H	15
27	H	16


> <ALATIS_Mixture_Map>

$$$$
