
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.8874   -5.0413   -0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    4.0145    2.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    3.4586    2.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712   -1.2431   -2.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -0.3611   -1.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -2.6139   -2.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203    3.6477    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5477    2.5112    1.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601   -2.2418   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563   -0.8582   -0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0323   -3.1225   -1.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2112    2.7375    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401    2.1395    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941    0.0499    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6981    2.3813   -1.1908 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    1.1853   -0.3348 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505   -0.3033    1.3299 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1189   -4.4834   -1.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915   -6.1147   -0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3743   -4.9192    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -4.6152   -0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9678    4.7294    2.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8361    3.7548    3.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5439   -0.8677   -3.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    0.7040   -2.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -3.3002   -3.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    4.0542    0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208    2.0881    2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -2.5959    0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    1.1629   -1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  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  3  1  0  0  0  0
  2  7  2  0  0  0  0
  2 22  1  0  0  0  0
  3  8  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5 10  2  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 30  1  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z28290384

>  <Barcode>
0110705878

>  <Well>
G02

>  <Plate_ID>
816280-01

>  <MW>
245.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H12FNO2/c1-18-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15/h2-9H,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
