
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.2185   -8.5134   -1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048   -3.5165    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -2.7805   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106   -4.8539    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4813   -4.1092   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2247   -0.0369    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1751   -7.0104   -0.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7743   -2.4642   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068   -5.1610   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -1.0708    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.6257    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    1.3013   -0.1622 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616   -6.5202   -0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643   -0.6781   -0.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1692   -6.3550   -1.2313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957    1.4582    0.3654 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2744   -8.9837   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4407   -8.7758   -2.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121   -8.8960   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -3.3048    0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873   -2.0030   -0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038   -5.6426    0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -4.2764   -0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -0.0755    0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444    0.7972   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419    2.2800   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -7.1958   -0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  2  0  0  0  0
  3 21  1  0  0  0  0
  4  2  2  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  3  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 11  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13  9  1  0  0  0  0
 13 27  1  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z48847594

>  <Barcode>
9990531966

>  <Well>
F07

>  <Plate_ID>
816280-05

>  <MW>
233.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	11
3	C	12
4	C	14
5	C	15
6	C	5
7	C	7
8	C	6
9	C	13
10	C	3
11	C	2
12	N	10
13	N	8
14	N	1
15	O	9
16	S	4
17	H	25
18	H	26
19	H	27
20	H	21
21	H	22
22	H	23
23	H	24
24	H	17
25	H	19
26	H	20
27	H	18


> <ALATIS_Mixture_Map>

$$$$
