
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.9419    5.9923    4.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    1.1747   -2.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -0.0855    4.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    1.2588    4.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7135   -0.4667    3.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    1.8273    2.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676   -0.8525   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666    4.6987    3.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    2.2334    3.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623    0.4923    2.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0608   -0.7059    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    3.5785    4.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639    0.1648    1.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305    4.7302    2.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -1.3116    0.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2757    0.3577   -1.5347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6225    5.8255    5.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663    6.5833    3.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0734    6.5489    4.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078    2.0060   -2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    1.5835   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785    0.6146   -2.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131   -0.8348    4.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    1.5391    5.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013   -1.5150    2.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163    2.5507    2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5663   -1.5286   -0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9005   -1.3384   -1.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    3.7299    5.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    0.8405    0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4  3  1  0  0  0  0
  4  9  2  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 12  9  1  0  0  0  0
 12 29  1  0  0  0  0
 13 11  1  0  0  0  0
 13 30  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
M  END
>  <ID>
Z31735562

>  <Barcode>
0110705194

>  <Well>
G02

>  <Plate_ID>
816280-03

>  <MW>
222.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
