
    alatis_output_mol

 26 25  0  0  0  0  0  0  0  0999 V2000
   -2.1600   -1.4340    1.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013   -2.9838    1.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2383   -0.2748    1.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507   -1.8508    1.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466   -0.0402    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258    0.2184    0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421    0.5257    1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    1.4635    1.8854 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -0.4958    1.7215 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    1.1381    0.2313 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.6894    2.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309   -0.5986    1.4041 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973    1.2314    0.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1872   -1.2271    1.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005   -1.5180    0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450   -3.9393    1.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -3.0999    0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.6627    1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.1508    2.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778   -1.7860    3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6747   -2.0869    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -1.0953   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323    0.4917   -0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3011   -3.4671    1.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940   -2.4526   -2.4987 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.7249   -2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 11  2  1  0  0  0  0
 11 24  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <ID>
Z1262246195

>  <Barcode>
0110705990

>  <Well>
E10

>  <Plate_ID>
816280-03

>  <MW>
232.63

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	13
2	 C 	14
3	 C 	12
4	 C 	11
5	 C 	3
6	 C 	1
7	 C 	2
8	 F 	7
9	 F 	8
10	 F 	9
11	 N 	6
12	 N 	4
13	 O 	5
14	 H 	23
15	 H 	24
16	 H 	25
17	 H 	26
18	 H 	21
19	 H 	22
20	 H 	19
21	 H 	20
22	 H 	15
23	 H 	16
24	 H 	17

molecule_2
new index	atom name	original index
1	 Cl	10
2	 H 	18


$$$$
