
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.4077    7.4498   -3.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    2.5665   -2.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329    3.8953   -0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290    1.3971   -2.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7491    2.7230   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0799    3.8188   -2.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226    1.4813   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    5.0182   -3.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082   -0.2390   -0.4311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668    6.2302   -2.5616 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011    4.8817   -4.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685   -1.1076   -0.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164    0.2466    1.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -0.0139    0.0194 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    7.8196   -3.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    7.2936   -4.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976    8.1822   -2.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5321    2.4982   -3.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    4.8486   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1607    0.4323   -2.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    2.7834    0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5904   -1.0115   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0967   -0.3350    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    6.2707   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6  3  2  0  0  0  0
  7 14  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10  8  1  0  0  0  0
 10 24  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z165170770

>  <Barcode>
0110706002

>  <Well>
D03

>  <Plate_ID>
816280-03

>  <MW>
214.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
