
    alatis_output_mol

 25 25  0  0  1  0  0  0  0  0999 V2000
    0.0412   -1.3839    0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563    2.8232    2.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8222    3.5885    1.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    1.4348    2.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    2.7017    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043    2.5554    0.3961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5419    3.9801   -0.5399 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5578    1.2286    1.0367 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3673   -0.3421    0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3537    0.1513   -1.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.0710    0.0370 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260   -1.1935    0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013   -1.4312    1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141   -2.3213    0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    3.2723    3.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    2.7862    3.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    4.4658    1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088    3.9460    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    1.4215    2.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421    0.6814    3.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    1.8910   -0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813    2.6034    1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    2.6545   -0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    3.9645   -0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259    4.0663   -1.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  6  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 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <ID>
Z1713595338

>  <Barcode>
9990531782

>  <Well>
F12

>  <Plate_ID>
816280-05

>  <MW>
178.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
