
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.1910   -5.5621   -1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -5.0287   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324    0.0286    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466    0.9340   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343   -1.1102    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635   -2.0772    1.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354   -1.0005    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -3.1015   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -3.3434    1.5507 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0821   -1.7632    0.0365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7651   -1.7885    2.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974   -3.7769   -0.5246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356   -3.5957   -0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847    0.4832   -0.7762 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -6.6487   -1.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -5.3209   -2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881   -5.1150   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577   -5.5197    0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809   -5.2659    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1647    0.1680    0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197    1.8567   -1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126   -3.7110    0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -4.0073    2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9587   -1.2997   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  6  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10  7  1  0  0  0  0
 10 24  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <ID>
Z64450924

>  <Barcode>
0110769269

>  <Well>
B08

>  <Plate_ID>
816280-08

>  <MW>
214.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O3S/c1-2-13-8(12)10-7-5(6(9)11)3-4-14-7/h3-4H,2H2,1H3,(H2,9,11)(H,10,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
