
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.1015    3.1753    3.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639    2.4806    2.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418    2.7465    4.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183   -2.9895   -3.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592   -3.4297   -2.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485   -2.0323   -2.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7963   -2.4710   -1.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3039    0.9273    2.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -3.6751   -3.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027   -1.7444   -1.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    1.3706    2.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    1.6161    3.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858   -0.0912    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -4.5858   -4.5216 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -0.7416   -0.7936 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    0.7242    0.9744 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210    1.1956    4.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063   -0.2244    0.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377    4.0565    4.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964    2.8440    2.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8479    3.2849    4.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203   -3.2007   -4.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912   -3.9755   -2.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -1.4982   -2.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.3193   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    0.0373    2.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -0.3526   -0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    1.0409    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    0.3965    3.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 15 27  1  0  0  0  0
 16 13  1  0  0  0  0
 16 28  1  0  0  0  0
 17 12  1  0  0  0  0
 17 29  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z55290386

>  <Barcode>
0110705986

>  <Well>
F11

>  <Plate_ID>
816280-03

>  <MW>
246.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
