
    alatis_output_mol

 26 26  0  0  1  0  0  0  0  0999 V2000
    4.2808   -0.6676    1.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4971   -0.3976   -1.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4846   -5.3573   -1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6872   -4.6802   -1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199   -4.6146   -1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    0.7161   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231   -0.6832    0.2194 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6752   -3.2962   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616   -2.5919   -0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8591   -2.6725   -0.8919 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2855   -3.2718   -1.0331 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748   -1.2006   -0.8780 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9158    1.7579    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1537   -0.0073    1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280   -0.3158    2.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6338   -1.6684    1.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0299   -0.8786   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096   -0.1860   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381    0.5494   -1.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4519   -6.4326   -1.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6333   -5.2076   -1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471   -5.0907   -1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5161    0.7409   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479    0.9489    0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485   -1.3364    0.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565    2.5927   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  2  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  1  1  0  0  0  0
  7  6  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  1  0  0  0
  8  9  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
>  <ID>
Z2017168803

>  <Barcode>
0110706244

>  <Well>
H05

>  <Plate_ID>
816280-07

>  <MW>
184.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
