
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -1.4672   -2.3440    0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343    4.4691   -2.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668    3.2518   -2.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823    4.4955   -1.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465   -0.0160   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    1.2901    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4412    0.0187   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    2.1160   -1.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -1.2965    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530    2.2011   -1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    0.9456   -2.1678 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432    3.4096   -0.9988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7027   -1.1752    0.4795 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.0766   -0.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497   -2.3784    0.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8216   -3.1969    1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1557   -2.6139    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -2.0910    1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    5.3687   -2.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    3.1584   -3.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6332    5.4228   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.2217   -1.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800    0.0751    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608    2.0826   -0.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688    1.5514    1.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3224   -0.2419   -0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772    0.3434    0.9894 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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <ID>
Z1373445602

>  <Barcode>
9990531948

>  <Well>
G12

>  <Plate_ID>
816280-05

>  <MW>
209.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
