
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -1.5189    0.2588   -4.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1473    2.9080   -2.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7836    2.2954   -3.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3939    2.1289   -1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558    0.1199   -2.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1255   -2.1306    1.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930    0.8997   -3.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900    0.7326   -1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544   -3.4869    1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -0.0492    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.3180    0.2644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266   -3.8390    0.7786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -4.2834    2.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    0.4386    0.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    0.3968   -5.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673   -0.8156   -4.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4971    0.7051   -4.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0545    3.9905   -2.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    2.9132   -3.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9117    2.6122   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080   -0.9630   -2.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1712   -2.2744    0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -1.6002    2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3778   -1.6598   -0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   -3.8769    2.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  2  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  2  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 11 10  1  0  0  0  0
 11 24  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 13 25  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z56827661

>  <Barcode>
9990529547

>  <Well>
H12

>  <Plate_ID>
816280-04

>  <MW>
193.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
