
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -5.7768   -2.4109    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -6.4787   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8154   -5.3306   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -6.5474    0.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116   -1.8839    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5989   -3.2637    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275   -2.6794    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401   -4.5579    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -2.7901   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992   -2.4383   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782   -3.5009   -0.0062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5582   -4.0622    0.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203   -1.2695   -0.0365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9433   -3.9840    0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -5.2396    1.5954 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9747   -1.3339   -0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2465   -2.8451   -0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2527   -2.8369    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912   -7.2134   -1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -5.0772   -2.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454   -7.3024    1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687   -0.8045   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -2.7148   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384   -2.6148    0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -4.4405    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  2  0  0  0  0
  4 15  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 25  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z29692148

>  <Barcode>
0110705890

>  <Well>
F11

>  <Plate_ID>
816280-01

>  <MW>
222.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)10(13)11-6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
