
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.6629   -6.0123   -0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874   -4.7490    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3064   -6.2500   -0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582   -3.7209    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    0.4900    1.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439    1.0505    1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148   -1.5510    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937   -0.5882    0.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3890   -5.2204   -0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7896   -3.9273    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -5.4776   -0.5390 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184   -2.9573    0.3252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9224    0.3078    0.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918   -0.6873   -0.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3854   -6.8103   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1441   -4.5634    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -7.2288   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5290   -2.7663    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    0.8051    1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7044    1.8876    1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3763   -1.4441   -1.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -1.2276    0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118   -3.2067   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798    0.4235   -0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  5  2  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <ID>
Z1545196403

>  <Barcode>
9990531657

>  <Well>
H10

>  <Plate_ID>
816280-06

>  <MW>
191.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
