
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0083    8.1669   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442    5.8402    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8152    4.5159   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    7.0029    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    5.6819   -0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153    3.3264    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    0.4269   -3.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    4.5817   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871    6.9312   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5332   -2.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143    1.8082   -1.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    2.9432   -1.2349 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092    2.3798   -3.7808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    1.9426   -4.9073 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    1.0743   -0.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6158    8.1384   -0.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2807    0.5144   -4.7126 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3670    9.1810   -0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5847    7.4914   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1825    7.9534    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7783    5.9273    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    3.5507   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1407    7.9749    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430    5.5776   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2179    2.4952    0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7799    3.4564    0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899   -0.3742   -2.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    3.5089   -2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  2  0  0  0  0
  3 22  1  0  0  0  0
  4  2  2  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 28  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 14 17  1  0  0  0  0
 15 11  2  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
M  END
>  <ID>
Z741218268

>  <Barcode>
0110705788

>  <Well>
F05

>  <Plate_ID>
816280-02

>  <MW>
249.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-12-11(15)10-7-17-14-13-10/h2-5,7H,6H2,1H3,(H,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
