
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -3.3720    2.2764   -1.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2366    0.8964   -1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2383    3.0813   -1.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9664    0.3195   -1.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674    2.5059   -1.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -3.2641    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -3.9892   -0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -1.9361    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864   -2.6653   -0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737   -4.2947    0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352    1.1261   -1.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.6399    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410   -5.6290    0.4618 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577    0.5349   -1.5181 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4585    0.8032    1.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084    0.0027   -0.1782 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0684    0.0388   -0.0186 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619    2.7246   -1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1206    0.2699   -1.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444    4.1551   -1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8695   -0.7548   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0915    3.1381   -1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146   -3.4891    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826   -4.7840   -0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2659   -1.1470    1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2376   -2.4486   -0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -5.7662    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3634   -6.2721   -0.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    0.9972   -2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  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  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  2  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  2  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
 10  6  2  0  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <ID>
Z56923284

>  <Barcode>
9990531990

>  <Well>
D07

>  <Plate_ID>
816280-05

>  <MW>
248.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	14
5	C	13
6	C	11
7	C	12
8	C	7
9	C	6
10	C	9
11	C	8
12	C	3
13	N	10
14	N	2
15	O	4
16	O	5
17	S	1
18	H	29
19	H	27
20	H	28
21	H	26
22	H	25
23	H	23
24	H	24
25	H	20
26	H	19
27	H	21
28	H	22
29	H	18


> <ALATIS_Mixture_Map>

$$$$
