
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.7635    2.3741   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8922    1.5759   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825    3.5272   -1.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5011    2.7580   -0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002   -2.0426   -1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219   -0.1910   -2.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4805   -3.0653   -1.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -0.9861   -3.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369    1.3497   -0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531    3.7040   -1.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914   -0.0031   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    5.0864   -2.0951 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2367   -0.6620   -1.2797 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.5220    0.7778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1963   -2.7198   -3.7166 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    2.2492   -1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811    0.8203    0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974    4.2629   -2.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5591    2.9192   -0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2879   -2.0683   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -2.3260    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691    0.8437   -2.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062   -0.2330   -2.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970   -4.0675   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -3.0753   -1.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511   -0.5517   -4.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136   -0.9477   -3.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  2  0  0  0  0
  2 17  1  0  0  0  0
  3  1  2  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4  2  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
 10  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z437584380

>  <Barcode>
0110706001

>  <Well>
D02

>  <Plate_ID>
816280-03

>  <MW>
241.74

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
