
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.8439    1.3823    1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972    0.2505    1.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7537   -6.4135    1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7965   -6.5451   -1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2270   -7.7246    1.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2689   -7.8572   -0.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779   -4.3728    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -4.2460    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.0004   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5487   -5.8063    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4860   -8.4318    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5136   -0.7596    0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -2.1279    1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9559   -9.6841    0.3728 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248   -2.8601    0.0262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -2.6065    2.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -0.2939   -0.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372    2.3565    1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    0.1638    2.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5575   -5.8622    2.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6381   -6.1006   -2.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4018   -8.1935    2.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4772   -8.4311   -1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4962   -3.8118    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4993   -3.8999   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157   -4.7424    0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1361   -4.7196   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068    1.5070   -1.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031   -2.3722   -0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2 12  2  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6  4  2  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 15  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  1  2  0  0  0  0
  9 17  1  0  0  0  0
  9 28  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 15 29  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z26769872

>  <Barcode>
9990529548

>  <Well>
G12

>  <Plate_ID>
816280-04

>  <MW>
233.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
