
    alatis_output_mol

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.7132   -4.6323    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -4.4747    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    0.5917   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3131   -1.0838    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.4270    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -3.4616    0.0053 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -0.7664   -0.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0883   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167    0.0296    0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4698   -2.8061    0.0213 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1987   -5.5862    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8509   -5.2339    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049    1.1528   -0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779   -1.4300   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  1  2  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3 13  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID>
Z2027049478

>  <Barcode>
0110705811

>  <Well>
D04

>  <Plate_ID>
816280-02

>  <MW>
152.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	9
2	C	10
3	C	8
4	C	1
5	C	2
6	N	6
7	N	4
8	N	5
9	N	3
10	S	7
11	H	13
12	H	14
13	H	12
14	H	11


> <ALATIS_Mixture_Map>

$$$$
