
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.4527   -0.5147   -1.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003   -0.3129   -2.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0676   -4.0118    1.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3358   -4.1751   -0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960   -1.2122   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4467   -5.4050    1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   -5.5459   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -2.7417    0.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940   -3.2595    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529   -0.8107   -2.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433   -1.5052   -1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782   -0.6136   -3.1161 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162   -1.7131   -0.2138 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -2.0321   -0.7888 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9609   -6.1570    0.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4470   -0.1428   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416    0.2169   -3.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438   -4.1209    2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518   -3.4372    2.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1409   -3.7198   -1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4232   -4.3073   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -1.3954    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540   -5.3643    1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961   -5.9481    2.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -5.4933   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854   -6.1966   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374   -3.5748    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -2.0672    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5585   -2.3848    0.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121   -1.3027   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  1  1  0  0  0  0
  5 13  2  0  0  0  0
  5 22  1  0  0  0  0
  6  3  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  4  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9  8  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 14 30  1  0  0  0  0
 15  6  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z1373430305

>  <Barcode>
0110706265

>  <Well>
F02

>  <Plate_ID>
816280-07

>  <MW>
210.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
