
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.2018   -1.4552    1.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9494   -1.1739    0.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8130   -1.2573    1.9166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1284   -0.2178   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389   -0.9970    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306   -0.4741   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2527    0.8040   -0.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3047   -0.6860   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657   -0.7555    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    0.0193    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787    0.1400   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150   -0.4357   -1.4596 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6057    0.7075   -0.8552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843   -0.8975    0.8632 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2386   -0.5914    0.8130 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5195    0.8809   -0.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7012   -1.8278    2.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0228   -1.3312    0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -1.4782    2.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080   -0.3204   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894   -1.7375    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883   -0.1174   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204    1.5304   -1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -1.0132    1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5 14  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 15 24  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <ID>
Z28143241

>  <Barcode>
0110705871

>  <Well>
G09

>  <Plate_ID>
816280-01

>  <MW>
217.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H8FN3O/c12-8-2-1-3-9(6-8)15-11(16)10-7-13-4-5-14-10/h1-7H,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
