
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.5652   -2.7476    1.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568   -2.8324   -1.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    0.0660    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9202   -0.5727   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770   -2.4275    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3453    1.1527   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    3.7414   -0.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    0.7412   -0.0711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716   -1.0268    0.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5224    3.0170   -1.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    3.0341    1.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8114    2.8318   -0.0102 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -2.1760    1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -3.8116    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772   -2.5100    2.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -2.2854   -1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888   -3.9029   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748   -2.6316   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724    0.0002    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -1.2404   -0.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489   -3.0167    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048    3.5260   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1784    3.5415    0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
M  END
>  <ID>
Z1509882419

>  <Barcode>
9990532011

>  <Well>
B04

>  <Plate_ID>
816280-05

>  <MW>
189.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
