
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.2341    4.8512    0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    3.2895   -0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445    5.9484   -0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0231    4.4613   -1.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5827    0.3941   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4965    1.2049   -0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567    2.5874    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    0.5605   -0.4318 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6119   -0.6734   -0.8918 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    3.5211   -0.0634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139    2.9212    0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    5.7136   -0.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781   -1.1214   -1.1394 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053    4.8610    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    5.0395    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525    2.3859   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956    3.1856    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    6.0045   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471    6.9211    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3484    4.5038   -2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    4.3295   -2.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    0.6264   -0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  1  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
M  END
>  <ID>
Z741055844

>  <Barcode>
9990529566

>  <Well>
F07

>  <Plate_ID>
816280-04

>  <MW>
199.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H9N3O2S/c11-7(6-5-13-9-8-6)10-1-3-12-4-2-10/h5H,1-4H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
