
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.6648   -1.0820    0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7320   -1.1158    0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4818    0.9054   -1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4498   -1.4983   -1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647    1.0374   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5983   -1.4119   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326    0.9726   -0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231    0.0225    0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988   -0.0299    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579    0.9200   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -0.1128   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    1.8916   -1.3609 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9756    0.0629    0.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3081   -0.3204   -1.6985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244   -0.1576   -0.1591 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619   -1.8808    1.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589   -1.9379    1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1452    1.7715   -1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8060    0.9139   -2.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0865   -2.3881   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7832   -1.6305   -2.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082    1.9777   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3585    1.1095    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2562   -1.4303    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9703   -2.3067   -0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715    1.8036   -0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7391   -0.4006   -2.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 15  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  3  0  0  0  0
 14  3  1  0  0  0  0
 14  4  1  0  0  0  0
 14 27  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <ID>
Z939944666

>  <Barcode>
0110705997

>  <Well>
E03

>  <Plate_ID>
816280-03

>  <MW>
205.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
