
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.8552   -1.0091   -1.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9752   -1.8294   -0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2142   -3.3447    0.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699   -1.1409   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339   -2.5925    2.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4865   -0.5001    1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.3103   -2.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3442    0.0904   -2.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679   -2.4444   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -1.5610   -0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    0.9282   -2.9746 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915   -0.4997   -1.6228 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -2.3395   -0.1307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0222   -1.4102    2.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   -1.2128   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682   -2.6774   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222   -4.2619    0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395   -3.6411    0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063   -1.3955   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452   -0.4221   -1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2240   -2.3300    2.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6814   -3.2219    2.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895   -0.1709    1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1368    0.3807    1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532    1.1741   -2.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284   -2.9532   -1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8124   -3.2738   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  1  2  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  3  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  4  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8  7  2  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 11  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13 27  1  0  0  0  0
 14  5  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID>
Z1172243962

>  <Barcode>
0110706031

>  <Well>
B08

>  <Plate_ID>
816280-03

>  <MW>
196.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13FN2O/c11-8-1-2-10(12-7-8)13-9-3-5-14-6-4-9/h1-2,7,9H,3-6H2,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
