
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.1307   -2.3777   -1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402   -5.3262    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -3.7000    1.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -2.6340   -0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228    0.6966   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.6969   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    1.3087    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -1.5056   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3442    0.5205    0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -0.8880    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2237   -2.9649   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.1510    0.3755 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3198   -3.9398    0.6877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930   -3.2670   -1.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -1.4495    0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121   -1.8929   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8983   -1.7099   -2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5184   -3.3186   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779   -5.6515    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -5.4645   -0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -5.9476    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3436   -2.6920    2.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2072   -3.8623    2.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7697   -4.4173    2.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -2.9996   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270   -3.4010    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    1.2932   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -1.1632   -0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902    2.3927    0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  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 13  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 15  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  7 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z1273312142

>  <Barcode>
9990531655

>  <Well>
H08

>  <Plate_ID>
816280-06

>  <MW>
211.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
