
    alatis_output_mol

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.9000    1.8506   -4.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627    0.6789   -3.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    3.1822   -3.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    0.9331   -2.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526    3.3883   -2.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991   -1.1602    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.0331   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104    0.1596    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    1.3320    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066   -1.2119    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481    2.1987   -1.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -1.3678    1.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477    2.2068   -0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980   -2.4844    2.4358 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    1.2624   -0.1257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -0.5737    2.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159    3.1079   -1.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    1.6849   -5.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9643    1.8925   -4.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881    0.5015   -3.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -0.2324   -3.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162    4.0022   -4.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913    3.2345   -3.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920    0.0331   -1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    1.0582   -2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406    3.5172   -2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622    4.3262   -1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213   -1.2486   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   -2.0038    0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4463   -0.0410   -1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    0.0715    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    0.2739    1.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851    0.1894    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044    2.1690   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866    1.5260    1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -2.0972   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957    2.3710   -0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -3.2775    1.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009   -2.6391    3.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 15  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 15  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10  6  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z32399948

>  <Barcode>
0110705888

>  <Well>
F09

>  <Plate_ID>
816280-01

>  <MW>
238.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H22N2O2/c14-12(16)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h10-11H,1-9H2,(H2,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	14
5	C	13
6	C	10
7	C	11
8	C	5
9	C	6
10	C	4
11	C	9
12	C	3
13	C	2
14	N	12
15	N	1
16	O	8
17	O	7
18	H	38
19	H	39
20	H	34
21	H	35
22	H	36
23	H	37
24	H	32
25	H	33
26	H	30
27	H	31
28	H	24
29	H	25
30	H	26
31	H	27
32	H	19
33	H	20
34	H	21
35	H	22
36	H	18
37	H	23
38	H	28
39	H	29


> <ALATIS_Mixture_Map>

$$$$
