
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -1.2285   -2.4271   -1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825   -1.2923    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    1.1702    0.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6601   -1.4224    2.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7992    0.9333    2.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8065   -1.3510   -0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.0730    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971    0.1654   -0.0614 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5193    1.5040   -0.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -0.8833   -0.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -0.9158    0.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    2.1411   -1.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    1.8732   -0.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465   -0.3544    2.8398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882   -2.7735   -2.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150   -3.2816   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062   -2.0345   -2.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392   -2.1238    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700   -1.3714    0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218    1.1457    0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029    2.1685    0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -1.4485    2.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0756   -2.3587    2.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    1.0314    2.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110    1.6781    3.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9661    0.1842   -0.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5546    0.0613    0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -0.9657   -1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    1.1606    0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  2  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 10 28  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 13 29  1  0  0  0  0
 14  4  1  0  0  0  0
 14  5  1  0  0  0  0
M  END
>  <ID>
Z1891772663

>  <Barcode>
0110705824

>  <Well>
C08

>  <Plate_ID>
816280-02

>  <MW>
201.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H15NO4/c1-6(11)10-8(9(12)13)7-2-4-14-5-3-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
