
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.8160    0.5879    1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.5513   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1883   -4.0682   -1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347   -2.7975   -1.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8700   -4.1853   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    0.4433    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394   -1.0735   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9471   -1.7067   -1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419    1.3027   -0.2367 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6112   -1.8849   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494    0.3562    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -0.4900   -1.2270 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854   -3.1367   -0.6913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -0.8348   -0.4517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508    1.6811   -1.6171 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    1.6099    1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    0.4479    2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423   -0.0992    1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    1.5920   -1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2353   -0.0863   -0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0485    0.2942   -2.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -4.9397   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7572   -2.6346   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857   -5.1572   -0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252    0.3561    1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    0.8633   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187   -1.6212    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368   -1.6595   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786    2.2211    0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076    0.8647   -2.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  2  0  0  0  0
  5 24  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  2  0  0  0  0
  9  6  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 15  9  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
>  <ID>
Z1929757385

>  <Barcode>
0110706293

>  <Well>
D06

>  <Plate_ID>
816280-07

>  <MW>
210.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
