
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
   -5.4441    0.0282   -2.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258   -0.8901    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    1.4012   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0663    0.7656   -0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758   -1.1947   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -1.1097   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8193    1.1991   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549   -0.0359   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808    1.2649    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093    0.1205   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9329   -0.1803   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1118    2.4955    0.1166 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305    0.8365   -0.7342 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    0.1586   -0.0995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4671   -1.1829    0.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0202    0.5243   -3.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0754   -1.0025   -2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5328   -0.0001   -2.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836   -1.7862    0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923   -1.2037   -0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -0.5054    1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    1.1735   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    1.8903    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9536    2.1044   -0.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4397    1.7940   -0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5197    0.2703   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -2.1737   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -2.0476   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    2.1263    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1242    1.5391   -1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  1  0  0  0  0
  5 27  1  0  0  0  0
  6  5  2  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  8  7  2  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 13 30  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z907784200

>  <Barcode>
0110706005

>  <Well>
D06

>  <Plate_ID>
816280-03

>  <MW>
210.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15FN2O/c1-4-13-11(15)8-5-6-10(14(2)3)9(12)7-8/h5-7H,4H2,1-3H3,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
