
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.5510    0.0245    1.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3967    2.3189   -2.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823    1.3183   -3.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    2.3142   -1.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846    0.3093   -3.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7090    1.2143    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4903   -0.0828   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991    1.2937   -1.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -1.3416   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344   -0.0818    0.2444 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2001    1.3057   -2.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6070    0.3107   -3.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597   -0.6707   -3.5418 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171    1.1737   -0.2706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -1.2336    0.4052 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928    0.9412    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    0.0137    2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -0.8220    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0977    3.1062   -2.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7806    1.3250   -3.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237    3.0959   -1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1676   -0.4763   -4.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195    2.0669   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431    1.4107    1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -0.2352   -1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821   -0.0204    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409    2.2465   -2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    0.5170   -2.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752   -1.5297   -1.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -2.2244    0.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3364   -0.2041   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  6  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z369042042

>  <Barcode>
9990531717

>  <Well>
C03

>  <Plate_ID>
816280-06

>  <MW>
209.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16FNO/c1-10-9-15-7-6-14(10)8-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3/t10-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
