
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.2779    4.2668   -2.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7341    2.9601   -2.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    4.5985   -1.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865    1.9836   -1.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    0.0909    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7602    1.2059    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -1.2042   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642   -0.1525   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022    3.6432   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    2.2776   -1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    4.0742    0.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    1.2698   -0.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2541    0.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    5.0255   -3.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    2.6872   -3.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329    5.6225   -1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    0.9644   -2.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5115    0.1131    1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    0.0899   -0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    1.9748   -0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    1.3321    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2698   -2.0701    0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -1.3069   -1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -0.2294    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.2499   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    3.5216    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1511    5.0682    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  5  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  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
 13  7  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z56785490

>  <Barcode>
9990529546

>  <Well>
H11

>  <Plate_ID>
816280-04

>  <MW>
178.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
