
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.0046    3.0528   -1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.4684    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544   -7.0083   -0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032   -5.1418   -2.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5245   -7.7890   -1.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -5.9222   -3.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502   -4.8653   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -0.5163   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -0.0243   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -5.6657   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -1.1129   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400   -7.2364   -3.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7371   -2.5010   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936   -7.9828   -4.0893 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603   -3.4501   -0.0529 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    0.8206    0.0016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826    1.0942   -0.0239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278   -2.7967   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339    2.4837   -1.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516    4.0888   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551    3.0415   -1.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    3.0535    0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8044    2.4844    0.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7731   -7.4580    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985   -4.1238   -2.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938   -8.8246   -1.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393   -5.5170   -4.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307   -5.0376   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159   -5.2113    0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499   -0.9913    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401    0.0268   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -3.1784    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  2  0  0  0  0
  4 25  1  0  0  0  0
  5  3  2  0  0  0  0
  5 26  1  0  0  0  0
  6  4  1  0  0  0  0
  6 27  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  2  0  0  0  0
  9 31  1  0  0  0  0
 10  7  1  0  0  0  0
 12  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 32  1  0  0  0  0
 16  8  2  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z1203107138

>  <Barcode>
0110770244

>  <Well>
C04

>  <Plate_ID>
816280-08

>  <MW>
247.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H14FN3O/c1-2-17-9-11(8-16-17)13(18)15-7-10-3-5-12(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	17
3	C	15
4	C	16
5	C	13
6	C	14
7	C	9
8	C	6
9	C	3
10	C	11
11	C	1
12	C	10
13	C	4
14	F	12
15	N	7
16	N	2
17	N	5
18	O	8
19	H	32
20	H	31
21	H	30
22	H	28
23	H	29
24	H	26
25	H	27
26	H	24
27	H	25
28	H	22
29	H	23
30	H	20
31	H	19
32	H	21


> <ALATIS_Mixture_Map>

$$$$
