
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.4340    5.0268   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085   -1.2269   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761   -1.0594   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961    1.1828    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831    3.8606   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468   -0.1050   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3098    0.2275   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883    1.3628   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149   -0.3173   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434    0.3777   -0.0813 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111    2.6318   -0.0675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294    4.0522   -0.1513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -1.3078    0.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6116    0.6440   -0.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    4.7089   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3398    5.6197    0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665    5.6415   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353   -2.2294   -0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -1.9205   -0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609    2.0329    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1265    2.6102   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0882    1.3363   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 11 21  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <ID>
Z364328788

>  <Barcode>
0110770262

>  <Well>
A10

>  <Plate_ID>
816280-08

>  <MW>
197.17

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
