
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.4470    4.8060    0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118    3.1675   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2988    1.8413   -0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322    4.2012   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319    2.5914    0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4053   -0.7610    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    1.5348    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    3.9227    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198    0.0981    0.1412 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3883   -0.2473    2.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -0.5245   -1.1901 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.2777    3.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5445   -0.4855    3.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756    5.0289    0.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    5.7799    0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1269    4.2069    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4472    4.3459    1.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7177    3.3996   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    1.0536   -0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    5.2338   -0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1352    2.3500    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377   -1.7941    1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4349   -0.7866    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024    0.0977    0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.4246   -1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675    0.0133   -1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287   -0.9348    2.6039 H   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  7  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
  9 24  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 13 27  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z335451386

>  <Barcode>
0110705919

>  <Well>
C09

>  <Plate_ID>
816280-01

>  <MW>
195.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
