
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.6513   -1.2560    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438   -1.7753   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441   -4.1216    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088   -1.5100   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -3.8531    0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953   -3.0885    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.5512   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479   -3.4561    0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107   -2.5932    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2321   -2.2920   -0.2967 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644   -2.4793   -0.0359 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653   -3.6917    0.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -1.5473   -0.0416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4388   -3.3464    0.7853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843   -2.0682    0.3857 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696   -4.5930    0.6350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4009   -1.5207   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0276   -1.4459    1.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3772   -0.2018    0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.9269   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224   -5.1453    0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655   -0.4973   -0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390   -4.6513    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0936   -1.5763   -0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  2  1  0  0  0  0
  4 22  1  0  0  0  0
  5  3  2  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 24  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <ID>
Z57292433

>  <Barcode>
0110770231

>  <Well>
D08

>  <Plate_ID>
816280-08

>  <MW>
221.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,13,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
