
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.5060   -7.2674   -2.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1550   -5.8335   -3.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306   -6.1443   -1.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4704   -4.7177   -2.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2646   -2.6605   -2.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1149   -3.7912   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789   -1.2954   -1.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891   -2.4318    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657   -7.1005   -3.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3006   -4.8463   -2.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470   -0.1077   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273   -8.1758   -3.5167 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697   -0.0596    1.2253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -3.7081   -1.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4372   -1.3083   -0.4968 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185    0.9082   -0.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1376   -8.2675   -2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720   -5.7159   -3.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -6.3042   -1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894   -3.7309   -3.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7562   -2.8901   -2.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919   -2.5975   -3.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470   -4.0492   -0.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597   -4.5532    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1336   -0.5298   -2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152   -1.0100   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210   -2.2325    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -2.4857    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488   -0.8631    1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8108    0.8222    1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3 10  2  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <ID>
Z198194394

>  <Barcode>
0110770221

>  <Well>
E03

>  <Plate_ID>
816280-08

>  <MW>
223.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	15
3	C	12
4	C	11
5	C	7
6	C	8
7	C	6
8	C	5
9	C	13
10	C	4
11	C	1
12	F	16
13	N	10
14	N	3
15	N	2
16	O	9
17	H	29
18	H	30
19	H	28
20	H	27
21	H	21
22	H	22
23	H	23
24	H	24
25	H	19
26	H	20
27	H	17
28	H	18
29	H	25
30	H	26


> <ALATIS_Mixture_Map>

$$$$
