
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.6343    0.0708   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623   -0.7585   -4.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.8278   -3.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    0.5515   -3.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -1.5869   -2.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.8054   -2.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -0.2694   -1.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    2.4643   -1.9874 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3941    0.8119    0.0346 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325   -1.3258    0.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    0.8457    0.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9452   -0.0333    0.1016 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6154   -0.5137   -1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192   -0.5854    0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671    0.7778   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285   -0.9420   -5.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -2.8491   -3.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    1.3768   -4.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5953   -2.4342   -1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925    1.6400    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z45527714

>  <Barcode>
0110705907

>  <Well>
D04

>  <Plate_ID>
816280-01

>  <MW>
205.66

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
