
    alatis_output_mol

 31 32  0  0  1  0  0  0  0  0999 V2000
   -0.0602    1.2225   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404    0.4695    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -5.8546   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9397   -6.4581   -2.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5705   -7.1941   -1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418   -7.7970   -2.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    0.2419    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -4.0170   -2.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -1.8188   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -5.4669   -1.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2909   -8.1529   -2.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -1.0031    0.1270 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0935   -9.4348   -2.1097 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0301   -3.2193   -0.9176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6097   -1.0316    0.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813    2.1796    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295    1.4138   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620    0.7147   -0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7093    0.7272    1.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -5.1236   -1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200   -6.1907   -2.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5456   -7.4912   -1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958   -8.5606   -2.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361    0.2370    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0874    0.4264    0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218   -3.5922   -2.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351   -3.9924   -1.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1522   -1.4013   -1.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587   -1.7608   -0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0921   -1.4498    1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089   -3.2018   -0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6  4  2  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7 15  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  1  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
>  <ID>
Z2856434824

>  <Barcode>
0110770191

>  <Well>
G09

>  <Plate_ID>
816280-08

>  <MW>
209.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
