
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
    3.1129   -2.0871   -1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7255   -0.6987    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111   -2.3731    1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3344   -2.5068    1.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -2.4450    1.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4510   -0.1227    0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3011   -0.2112    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0698   -1.3537    0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0582   -0.0782    0.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800   -1.2370    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227   -1.3549    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4078   -1.4394    0.8428 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780    1.1291    0.7205 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392   -1.2199    0.9113 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634    0.1383   -0.9481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9100   -1.3863   -2.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -2.7907   -1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -2.6644   -1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361   -0.2207    0.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    0.0738   -0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159   -1.4336   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812   -2.9431    1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -1.8816    2.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189   -3.1048    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545   -3.4448    1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740   -3.3553    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0288    0.7673    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    0.2558    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    0.5770   -0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -2.0226    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  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
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5 10  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 15 31  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <ID>
Z30802768

>  <Barcode>
9990529588

>  <Well>
D05

>  <Plate_ID>
816280-04

>  <MW>
227.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15F2NO/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
