
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.0810    3.1548   -2.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453   -4.6355    1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8605   -3.0851    2.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271   -3.5646    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2429   -2.0230    1.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4159   -0.0218   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7306   -1.2508   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693    1.2911    0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.0680    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037   -4.3843    2.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -2.2342    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.2887   -1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0846   -5.4068    2.9716 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6262   -1.1567    0.4160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7079    1.2391   -0.3046 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764    3.2810   -1.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5242    2.0994   -1.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267    2.9086   -2.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488    4.1013   -1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5537    3.2406   -3.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -5.6595    1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001   -2.8990    3.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1881   -3.7922   -0.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049   -1.0113    2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351   -0.1430   -1.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236    0.0341    0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.4316   -1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3072   -2.0667    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146    2.1341   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150    1.4541    1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6511    0.1807    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    0.0351   -0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 11  2  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 15  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 14  7  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z192955056

>  <Barcode>
0110770270

>  <Well>
A02

>  <Plate_ID>
816280-08

>  <MW>
238.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15FN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	14
3	C	15
4	C	11
5	C	10
6	C	7
7	C	8
8	C	6
9	C	5
10	C	13
11	C	4
12	C	2
13	F	16
14	N	3
15	N	1
16	O	9
17	O	12
18	H	30
19	H	31
20	H	32
21	H	28
22	H	29
23	H	27
24	H	26
25	H	22
26	H	23
27	H	24
28	H	25
29	H	20
30	H	21
31	H	18
32	H	19


> <ALATIS_Mixture_Map>

$$$$
