
    alatis_output_mol

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.6230   -1.5200    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -0.5127   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4118   -0.0931   -1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7022   -0.1920    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9553   -2.7124    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8532   -1.2411   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933   -1.1464    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806   -1.4126   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701   -0.5918    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738   -0.2122   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480   -0.2712   -0.0765 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    0.6953    0.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922    0.9148    0.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -2.5489   -0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6198   -2.5008    0.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3054   -1.6075    0.0822 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954   -1.3957   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7779    0.5540   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1970   -0.3350   -2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7542    0.6978   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    0.5169    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7101   -0.4784    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624   -3.7469    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3476   -2.2028   -0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1059    0.6280   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  2  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  1  2  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 16  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
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z165141116

>  <Barcode>
0110705801

>  <Well>
E07

>  <Plate_ID>
816280-02

>  <MW>
235.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H9N3O2S/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
