
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -1.6753   -2.9686    0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7989   -3.7523    2.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477    0.3574    1.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827   -0.3530    2.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841    1.0919   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3399   -1.8267    1.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -0.2627   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0192   -2.5190    2.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815    1.2809   -1.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593    0.3090   -0.9281 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145    2.4472   -0.8018 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    1.3597   -2.5943 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -0.5156    1.1981 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243   -1.1100   -0.6082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969   -1.6427    2.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.1296    0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334   -3.6723    0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6374   -3.4561    0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3794   -3.4679    3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1217   -4.4717    2.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -4.2577    3.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    1.3068    1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2475    0.5740    2.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796    0.2468    2.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6696   -0.4622    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8232    1.8634    0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411    1.1886   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411   -1.6292    2.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021   -2.4703    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  8  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 13  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  3  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  4  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z394039592

>  <Barcode>
0110706029

>  <Well>
B06

>  <Plate_ID>
816280-03

>  <MW>
225.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14F3NO2/c1-8(2)6-13(3-4-15-8)7(14)5-9(10,11)12/h3-6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
