
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.6321   -2.1591    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3285    0.2914    3.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1548   -0.6344    3.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0961    0.6302    3.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    1.1887   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    0.3313    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -0.8757    1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7330   -1.2154    2.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.0586    2.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820    0.2846    0.2486 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6080   -1.0985   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5118   -2.1224    1.4382 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -1.0055   -0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2457   -2.1210   -0.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626    0.4689    1.6332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.0794   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331   -2.1689    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469   -2.0901   -0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6448    0.7534    4.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1164   -0.9096    3.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548    1.3504    3.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218    2.1341    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093    1.4128   -1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    0.5851   -0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4982    0.3941    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517   -1.3806    0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376    0.5447   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  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  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  2  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  2  0  0  0  0
  7 26  1  0  0  0  0
  8  7  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 12  8  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>
Z1217960891

>  <Barcode>
0110705790

>  <Well>
F07

>  <Plate_ID>
816280-02

>  <MW>
209.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3/t10-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
