
    alatis_output_mol

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.1553    1.8740   -1.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093    2.5620   -0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194   -6.9707    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -5.3643    0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035   -5.9288    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6336   -4.3374    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -3.6148   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -2.2877   -0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947   -2.3538    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -1.1434    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    1.2808   -0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1397   -6.6749    0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911   -4.5842    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484    0.0017   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0198   -7.6699    0.7324 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220   -3.5452   -0.1442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0323   -1.0919    0.2843 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9732   -0.0419   -0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    2.3359   -2.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    1.3985   -2.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904    2.5339   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640    3.4779   -0.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098   -8.0053    0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5899   -5.1383    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863   -6.1967   -0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9945   -3.3204    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -4.4978    0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901   -3.6765   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9808   -2.2599   -0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295   -2.1535   -1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780   -2.4440    1.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -2.3104    0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292   -0.2184   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8756   -1.3118    1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    1.4471    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  1  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  2  0  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 17  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 17  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z30620520

>  <Barcode>
0110706249

>  <Well>
H10

>  <Plate_ID>
816280-07

>  <MW>
248.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	5
2	C	6
3	C	16
4	C	17
5	C	13
6	C	14
7	C	10
8	C	11
9	C	8
10	C	9
11	C	4
12	C	15
13	C	7
14	C	1
15	F	18
16	N	3
17	N	2
18	O	12
19	H	20
20	H	21
21	H	22
22	H	23
23	H	34
24	H	35
25	H	32
26	H	33
27	H	28
28	H	29
29	H	30
30	H	31
31	H	24
32	H	25
33	H	26
34	H	27
35	H	19


> <ALATIS_Mixture_Map>

$$$$
