
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.8933   -2.7513    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    5.4979   -1.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    4.6654   -2.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849    5.3617    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479    3.6967   -2.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195    4.3919    0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054    2.5098   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1102   -0.7880    1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348    3.5538   -0.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5961    0.5615    1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3009    1.2396   -0.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    1.0116    1.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506   -1.4536   -0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180   -3.3526    0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -3.2528   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -2.6746    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8341    6.2512   -1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0029    4.7718   -3.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    6.0109    0.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    3.0590   -2.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404    4.2954    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506    2.3519   -1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5551    2.8559    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633   -0.6073    1.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5311   -1.4159    1.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415    0.7475   -0.8047 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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  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
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  7  1  0  0  0  0
 11 10  1  0  0  0  0
 11 26  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z31478538

>  <Barcode>
0110706264

>  <Well>
F01

>  <Plate_ID>
816280-07

>  <MW>
179.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
