
    alatis_output_mol

 25 24  0  0  0  0  0  0  0  0999 V2000
   -3.7063    1.1871   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624   -0.3411    2.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5545   -1.0745   -0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7556    1.3359   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353   -0.9507   -0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    1.4525   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -0.1203   -0.2352 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3748    0.0657   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.3112   -0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7773    0.4289   -0.6060 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845   -0.9412    0.9325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7922    0.9562   -0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4854    1.7441   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765    1.8458    0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095    0.5376    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944   -0.0475    2.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1641   -1.0796    3.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867   -2.0660   -0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291    2.2470   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506   -1.8369   -0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    2.4314   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1964   -0.6784   -1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285   -1.8804    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0078   -0.1953    2.9310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0683   -0.5767    2.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  2  0  0  0  0
  4 19  1  0  0  0  0
  5  3  2  0  0  0  0
  5 20  1  0  0  0  0
  6  4  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 11 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <ID>
Z166605480

>  <Barcode>
9990531999

>  <Well>
C09

>  <Plate_ID>
816280-05

>  <MW>
189.66

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12FN.ClH/c1-7(11-2)8-3-5-9(10)6-4-8;/h3-7,11H,1-2H3;1H/t7-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	10
2	 H 	19


$$$$
