
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    4.1515    0.1523    1.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895    2.0757    1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7728    0.9409    2.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5114    2.8614    2.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3304   -0.7035    0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -1.8722    2.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -0.5719    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4522   -1.7479    2.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   -0.1535    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848    0.7057    1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412    2.2856    3.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7456   -1.3384    1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123   -1.0660    1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0025   -0.0505    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294    3.0359    3.9490 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0541   -1.4358    1.8788 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -0.9143    0.9032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393    0.7596   -0.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4336   -0.8951    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    2.5419    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5164    0.5173    3.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    3.9177    2.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0659   -0.3044   -0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1688   -2.3699    3.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -0.0813   -0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7453   -2.1633    2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8902    0.1421   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973   -1.2075    0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762   -1.3699    1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  1  1  0  0  0  0
  3 21  1  0  0  0  0
  4  2  2  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13 17  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 17 29  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z27805986

>  <Barcode>
0110770271

>  <Well>
A01

>  <Plate_ID>
816280-08

>  <MW>
247.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H11F2NO/c15-11-3-1-10(2-4-11)9-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
