
    alatis_output_mol

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.7034   -1.4598    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7894   -0.0902   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.1325    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272   -0.3436   -0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2523   -0.5873   -0.9396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    0.3809    0.9796 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967    0.2541    0.7082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2820   -1.4323   -0.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977   -0.8101   -1.2761 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0905   -0.9740    0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1016   -0.9691   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0287   -2.5035    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381    0.4363   -0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1606    0.4362    0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -1.3336   -1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190   -0.5222   -0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  5  4  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
M  END
>  <ID>
Z57478994

>  <Barcode>
0110770214

>  <Well>
E10

>  <Plate_ID>
816280-08

>  <MW>
145.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
