
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    5.1160    7.0132   -5.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6595    5.8604   -5.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4238    6.9832   -3.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    3.4354   -2.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4990    4.6791   -4.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624    5.8034   -2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4974    3.4030   -2.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    2.2173   -1.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4823    0.0517    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    1.1917    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777   -1.2255   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139   -0.1163   -0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    4.6424   -3.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    2.2756   -1.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    1.2315   -0.2538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807    3.2051   -1.3704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950   -1.2536    0.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217    7.9377   -5.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    5.8857   -6.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7711    7.8842   -3.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    4.3475   -1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767    3.4950   -3.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160    3.7944   -5.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    5.8021   -1.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1818    3.3454   -1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861    2.5099   -3.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    1.3068   -2.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    2.1837   -0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934    0.0819    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5161    0.0652   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    2.0486   -0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7279    1.2405    1.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742   -2.1053    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117   -1.3085   -1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487   -0.1909   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209   -0.1638   -1.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  2  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  2  0  0  0  0
  5 23  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  7  4  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11  9  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 10  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z419995480

>  <Barcode>
9990531650

>  <Well>
H03

>  <Plate_ID>
816280-06

>  <MW>
233.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	9
5	C	14
6	C	13
7	C	12
8	C	7
9	C	5
10	C	6
11	C	11
12	C	10
13	C	8
14	C	2
15	N	1
16	O	3
17	O	4
18	H	36
19	H	34
20	H	35
21	H	24
22	H	25
23	H	33
24	H	32
25	H	30
26	H	31
27	H	22
28	H	23
29	H	18
30	H	19
31	H	20
32	H	21
33	H	28
34	H	29
35	H	26
36	H	27


> <ALATIS_Mixture_Map>

$$$$
