
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.3506    5.5694   -2.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0882   -1.0750   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559   -1.4197   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611    6.0481   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    5.2231    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    0.4182   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    0.9817    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    5.1808   -1.2220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3109   -0.4882   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    3.8066    0.1359 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7094    2.7410    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946   -0.9148   -0.1463 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.3920    0.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    3.0702    0.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166    3.8250   -0.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351    6.6054   -2.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2753    5.4577   -2.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8530    4.9168   -3.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5017   -1.5256    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086   -1.5610   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -2.4649   -0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8046    7.0528   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263    6.1553    0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462    5.3819   -0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229    5.4674    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071    0.6287    0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908    0.6454   -0.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5697    1.4581   -0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337    1.3551    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    5.2282   -1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9994    3.5984    1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3  9  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  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
  6 27  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  1  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  1  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  1  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z2272040604

>  <Barcode>
0110706269

>  <Well>
F06

>  <Plate_ID>
816280-07

>  <MW>
213.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H16FNO2/c1-8-4-5-10(15-8)11(14)13-6-2-3-9(12)7-13/h3,8,10H,2,4-7H2,1H3/t8-,10-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
