
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
   -5.0077    3.3220   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.6645   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297    0.7301    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -1.3911   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071    1.4018    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6715    1.3664   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413   -0.7261    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664    0.5995   -0.3915 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0530   -0.7210    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826    0.6767    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663    2.6159   -0.8666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -1.4954    0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2455    1.4011    0.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8800    2.7297   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0903    3.5813    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0273    4.2571   -1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137   -1.1864   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583    1.2956    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1914   -2.4766   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    2.4875    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5272    0.7240   -0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113    1.6068    0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3277   -0.5715    1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2206   -1.3313    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2781    0.4198   -1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834    2.4249   -1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 11 26  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <ID>
Z1891773476

>  <Barcode>
9990532024

>  <Well>
A08

>  <Plate_ID>
816280-05

>  <MW>
179.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
