
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.4663   -4.4260    2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -4.5533    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067    2.8622   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262    3.4936   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5664    4.2100   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2349    4.8405   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.0738   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    2.4847   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5774    5.1852   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678    1.0721   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4522   -1.1502    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -2.5601    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    6.4757   -0.2998 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202    0.6918    0.0167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108   -3.0729    0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789   -3.2369    0.1682 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -0.6860    0.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -3.8907    2.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753   -3.8365    2.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573   -5.4054    2.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575   -5.1195    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075   -5.0808    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014    2.1211   -0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1836    3.2376    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6100    4.5037   -0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240    5.6167   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853   -0.1275   -0.0197 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
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  2  0  0  0  0
  4 24  1  0  0  0  0
  5  3  2  0  0  0  0
  5 25  1  0  0  0  0
  6  4  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  2  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 14 17  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z2106600670

>  <Barcode>
9990531719

>  <Well>
C01

>  <Plate_ID>
816280-06

>  <MW>
235.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H10FNO3/c1-2-16-12(15)11-7-10(14-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
