
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -1.1166    1.7898    1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2480   -2.2094    1.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -3.3486    1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952   -3.3555    2.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -4.5050    2.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025    0.9814   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -2.2058    1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219   -4.5005    2.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -0.0175    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -1.1057    0.7588 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188   -5.6120    3.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2423    0.1632    0.2354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1815    1.1593    0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196    2.3946    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440    2.4415    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    1.0228    2.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -1.3334    1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953   -3.3729    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271   -3.3502    2.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0774   -5.3902    2.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0436    0.6181   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    1.9480   -0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -1.1457    0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -6.3731    2.9624 H   0  0  0  0  0  0  0  0  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
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  2  2  0  0  0  0
  4 19  1  0  0  0  0
  5  3  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  2  0  0  0  0
 10  9  1  0  0  0  0
 10 23  1  0  0  0  0
 11  8  1  0  0  0  0
 11 24  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
M  END
>  <ID>
Z943693514

>  <Barcode>
0110705196

>  <Well>
E12

>  <Plate_ID>
816280-03

>  <MW>
181.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
