
    alatis_output_mol

 26 25  0  0  0  0  0  0  0  0999 V2000
   -3.3704    4.7221    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814   -0.0577    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800    4.3357    0.0057 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5180   -1.1109   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6608    1.0646   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    2.8555   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913   -2.5620    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0555   -2.7405    0.6818 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039   -3.2506   -1.0463 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1450   -3.0643    1.0332 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350    4.6825   -1.1304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727    2.4313   -0.1981 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6474   -0.6421   -0.5801 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    0.6771   -0.6497 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683    2.0543    0.1313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5936    5.8101    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7118    4.4899    2.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3258    4.1657    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3835   -0.1278    0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7442    4.9312   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4134    4.1133   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0224    4.4851   -2.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433    3.1398   -0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3217    1.2994   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7744   -0.3569    1.8880 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -0.1520    0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  5  2  2  0  0  0  0
  6 12  1  0  0  0  0
  7  4  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  3  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12  5  1  0  0  0  0
 12 23  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
 14 13  1  0  0  0  0
 14 24  1  0  0  0  0
 15  6  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <ID>
Z1622626423

>  <Barcode>
0110705783

>  <Well>
G01

>  <Plate_ID>
816280-02

>  <MW>
258.63

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H9F3N4O.ClH/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10;/h2-3H,11H2,1H3,(H2,12,13,14,15);1H/t3-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	15
2	 H 	23


$$$$
