
    alatis_output_mol

 37 38  0  0  0  0  0  0  0  0999 V2000
   -4.7129   -3.1468    4.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6466   -2.2239   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252   -1.9331    3.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712   -1.3768    2.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839    0.0001   -2.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -1.9300   -1.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1638    0.1453   -3.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -1.6952   -3.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0898   -2.6819    2.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0908   -0.7296    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7841   -2.5970    3.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542   -2.0991    1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647   -1.4633    1.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429    0.0252   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955   -0.6673   -1.3325 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1770    1.1992   -0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -1.1240   -4.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -0.9128    0.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2023   -2.3234    5.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1558   -3.7542    5.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4866   -3.7796    4.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487   -1.4072   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2903   -3.1771   -0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7385   -2.1894   -0.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -1.8306    4.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -0.8555    3.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8555   -0.6385   -2.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474    0.9772   -2.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388   -2.3779   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296   -2.6169   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7989    0.5253   -4.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335    0.8480   -3.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928   -2.6446   -3.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0528   -1.0259   -2.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9976   -3.1957    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780   -1.6980    1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190   -0.1175    1.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  5  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  6  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11  9  2  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <ID>
Z17497990

>  <Barcode>
9990529600

>  <Well>
C08

>  <Plate_ID>
816280-04

>  <MW>
249.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	15
3	C	12
4	C	10
5	C	13
6	C	14
7	C	16
8	C	17
9	C	8
10	C	6
11	C	11
12	C	3
13	C	4
14	C	1
15	N	2
16	O	7
17	O	9
18	O	5
19	H	36
20	H	37
21	H	35
22	H	28
23	H	30
24	H	29
25	H	23
26	H	22
27	H	24
28	H	25
29	H	26
30	H	27
31	H	31
32	H	32
33	H	33
34	H	34
35	H	21
36	H	19
37	H	20


> <ALATIS_Mixture_Map>

$$$$
