
    alatis_output_mol

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.5523    1.4496   -3.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.3280   -3.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    1.7354   -1.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -0.5583   -2.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785   -1.1826   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3108   -3.5592    0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9617   -1.3595   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926   -3.7328    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204   -2.1968    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381   -0.0818    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300   -2.2838    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046   -2.6320   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6823    0.8786   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4183   -0.2531   -1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8279   -2.8007   -0.2308 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    0.9706    0.3948 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589   -0.8713   -0.1058 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123    2.1151   -4.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    0.1394   -4.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746    2.6043   -1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3592   -1.4267   -2.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -0.1729   -0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840   -4.4327    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163   -0.5112   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1376   -4.7179    0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980   -2.8399   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551   -2.5613    1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221   -0.3278    1.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 18  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  2  0  0  0  0
  6 23  1  0  0  0  0
  7  5  2  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8  6  1  0  0  0  0
  8 25  1  0  0  0  0
  9 17  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 17  1  0  0  0  0
 10 28  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z26333448

>  <Barcode>
0110705903

>  <Well>
E01

>  <Plate_ID>
816280-01

>  <MW>
226.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
