
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.1822   -1.7099   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -5.6840    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    0.6397    3.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0637   -2.3078   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723   -3.0040   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -4.6586    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524   -0.6005    2.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671   -3.2763   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837   -2.6741    1.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4107   -0.7730    1.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926   -4.1324   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645   -1.9982    1.1788 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570   -3.6185    1.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2842   -5.1605    0.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3612   -1.8946    3.0871 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428   -1.8570   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1286   -1.1670    0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7511   -1.0872   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0324   -5.2452   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282   -6.3107    0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752   -6.3293   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    0.9176    3.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387    1.4672    3.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9132    0.4730    4.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -2.7229   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -1.3695   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  2  0  0  0  0
  8  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z1899842917

>  <Barcode>
9990531707

>  <Well>
D12

>  <Plate_ID>
816280-06

>  <MW>
225.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
