
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.5239   -3.5582    2.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8617   -2.8432   -1.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638    1.2484    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    0.0982    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    1.1426    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228   -1.1610    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0829   -3.7235    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447   -0.1166    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7682   -1.2908    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286   -0.0925   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3205   -2.5937   -0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270   -4.8511    0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6285    0.7732   -0.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.0434    0.6242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505   -3.4109    2.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858   -2.7425    2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037   -4.4810    2.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -2.0541   -2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4735   -3.7896   -1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9504   -2.9096   -1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    2.2266    0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    0.1784    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    2.0493   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -2.0403    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0570   -1.6801    1.0591 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <ID>
Z223688272

>  <Barcode>
9990531944

>  <Well>
H09

>  <Plate_ID>
816280-05

>  <MW>
193.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
