
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.2086   -1.1454   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3215   -1.6236    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815    2.5233   -2.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    3.6249   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.7121   -1.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737    2.8210    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150   -1.1188   -0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493   -1.3714    1.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -0.9249    0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    3.4618   -2.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    1.8327   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702   -0.2264   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9147    4.2164   -2.8416 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6082    0.9959    0.2279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1782   -0.6549    0.8225 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151   -0.7736   -1.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7397   -1.8002   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6312   -0.1375   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1180   -1.0916    1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -2.6946    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166    2.4168   -3.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    4.3679   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8077    1.0009   -2.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578    2.9543    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -2.1258   -0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.4370   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0283   -0.7729    2.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4952   -2.3347    2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861   -1.9987    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195   -0.5839    1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    1.2582    1.2009 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 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  2  0  0  0  0
  6 24  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 15  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10  4  2  0  0  0  0
 11 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 14 31  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <ID>
Z2856434942

>  <Barcode>
9990531979

>  <Well>
E05

>  <Plate_ID>
816280-05

>  <MW>
222.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
