
    alatis_output_mol

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.0622   -5.2038   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603    2.4770   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692   -3.6845    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020    0.2177    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946    1.0526   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -3.0387    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -0.8182    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607    0.4563   -0.2984 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8498   -1.6610   -0.0191 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772   -3.7249    0.0533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804   -1.3426    0.5105 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5193   -5.5544   -0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190   -5.5612    0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531   -5.6658   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    2.5633   -1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248    3.0602    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    2.9111   -0.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225   -3.3593    0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7105   -3.3524   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    0.4407    0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218   -1.1943   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9 21  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <ID>
Z30820160

>  <Barcode>
0110705894

>  <Well>
E10

>  <Plate_ID>
816280-01

>  <MW>
170.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
