
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
   -3.3263    1.8989   -1.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7891   -1.8855   -1.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888    0.9769   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -1.5207   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311   -0.7907   -0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4587   -0.9515   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723    0.2287    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666    0.9164    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447   -0.0891   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6189    1.0672    0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214   -0.2038   -0.2456 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783    2.0450    1.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0108    2.7508   -1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717    1.3705   -2.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    2.2935   -1.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4404   -1.1203   -2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9266   -2.0038   -2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3396   -2.8320   -1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765    1.5192    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420    0.6739   -0.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527   -1.5100    0.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158   -2.3045    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5869   -1.4530   -1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395   -1.7417   -1.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471    0.3689    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018    1.5816    1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633    2.5363    2.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  1  0  0  0  0
  7 10  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
>  <ID>
Z2856434814

>  <Barcode>
0110706009

>  <Well>
D10

>  <Plate_ID>
816280-03

>  <MW>
165.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
