
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.2688   -1.7865    2.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869    3.0500    1.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    0.6716    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855   -1.6676    0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536   -0.3445    2.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249    1.7648    2.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846    0.4600    1.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2231    0.5035    3.5451 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1475    1.7696    3.3258 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -0.4115   -0.0608 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    1.2413   -0.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047   -1.1501   -0.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    0.0237   -0.0870 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411   -1.9268    2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -2.3484    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726   -2.2308    3.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650    2.9150    0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    3.7575    2.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2894    3.5073    0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7192    0.2923    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906    1.0965    1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5739    1.4557   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506   -2.4537    0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888   -1.5223    1.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0401   -2.0305    0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    0.2826    4.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9  6  2  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z94597856

>  <Barcode>
0110706024

>  <Well>
B01

>  <Plate_ID>
816280-03

>  <MW>
203.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
