
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.6823   -2.0337   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8392   -0.6471    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486   -1.7309   -1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1186    4.6274   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    2.9659    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288   -2.5609   -0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -0.3525   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.2160   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436    2.6288    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654   -3.8880   -0.6947 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7746    0.4147   -1.6299 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3194    5.1119    0.1749 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307    4.0568    0.5548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0199    1.5930   -0.1721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8187    2.3669   -0.0899 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    3.2937    0.1683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090    3.7106    0.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4455   -2.7054    0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7406   -0.2569    0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6684   -2.1465   -1.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    5.1885   -0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7327    1.9614    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508    1.8739    0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    1.6939   -0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  1  0  0  0  0
  5 16  1  0  0  0  0
  5 22  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 17  9  2  0  0  0  0
M  END
>  <ID>
Z56259192

>  <Barcode>
0110706328

>  <Well>
A08

>  <Plate_ID>
816280-07

>  <MW>
239.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H7F2N5O/c10-6-1-2-8(7(11)3-6)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
