
    alatis_output_mol

 32 31  0  0  1  0  0  0  0  0999 V2000
   -1.5785    0.0880   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8615   -1.1382    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    3.4568   -1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2372    4.4655   -2.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8357    1.3637    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    0.1371    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6157   -1.1902   -0.0120 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1583    2.2416   -0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    5.6774   -2.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    5.6147   -2.3772 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602    6.8509   -2.2618 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735    5.7261   -4.1412 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7369   -1.4803   -1.4428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    1.2842   -0.1623 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    2.1370   -1.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226    0.0251   -1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232    0.1258    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947   -1.0623    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3887   -2.0720    0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0193    3.9967   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451    3.1016   -2.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0619    4.8300   -1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080    3.9524   -3.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803    2.2325   -0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8670    1.4570    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3458    0.2170    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    0.1132    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -2.0168    0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999   -0.7421   -2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2926   -2.4044   -1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126   -0.8630   -3.0554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4574   -1.2175   -1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  3  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  6  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  1  0  0  0
  8 14  1  0  0  0  0
  9  4  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 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15  8  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <ID>
Z1818332938

>  <Barcode>
0110770187

>  <Well>
H12

>  <Plate_ID>
816280-08

>  <MW>
260.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14;/h7H,1-6,13H2;1H/t7-;/m1./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	16
3	C	6
4	C	7
5	C	11
6	C	4
7	C	12
8	C	2
9	C	3
10	F	8
11	F	9
12	F	10
13	N	13
14	N	1
15	O	5
16	H	29
17	H	30
18	H	31
19	H	32
20	H	19
21	H	20
22	H	21
23	H	22
24	H	23
25	H	24
26	H	17
27	H	18
28	H	25
29	H	26
30	H	27
31	Cl	14
32	H	28


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	15
2	 C 	16
3	 C 	6
4	 C 	7
5	 C 	11
6	 C 	4
7	 C 	12
8	 C 	2
9	 C 	3
10	 F 	8
11	 F 	9
12	 F 	10
13	 N 	13
14	 N 	1
15	 O 	5
16	 H 	29
17	 H 	30
18	 H 	31
19	 H 	32
20	 H 	19
21	 H 	20
22	 H 	21
23	 H 	22
24	 H 	23
25	 H 	24
26	 H 	17
27	 H 	18
28	 H 	25
29	 H 	26
30	 H 	27

molecule_2
new index	atom name	original index
1	 Cl	14
2	 H 	28


$$$$
