
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -5.6046   -4.5032    1.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -6.9727    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672   -5.6521    1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8933   -6.6345   -1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0346   -4.1467    1.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -3.3929    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849   -4.2796    1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873   -4.6027   -0.0212 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0206   -3.9603    0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5879   -3.7773    1.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -3.6996   -0.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -3.9440   -0.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737   -3.6923    2.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381   -5.2973   -1.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1189   -4.1461   -0.4860 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3028   -3.6953    1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0409   -5.4522    1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5050   -4.5428    2.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3469   -7.2965    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9681   -7.7705    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6027   -5.5174    1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538   -5.6154    1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9888   -6.6427   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -7.3051   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335   -4.1827    2.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8392   -2.8454    0.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595   -2.7191   -0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144   -4.2138   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002   -3.7876   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 29  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z1881545321

>  <Barcode>
9990531731

>  <Well>
B12

>  <Plate_ID>
816280-06

>  <MW>
226.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	15
3	C	14
4	C	13
5	C	3
6	C	10
7	C	6
8	C	11
9	C	1
10	C	4
11	N	7
12	N	2
13	O	8
14	O	9
15	S	5
16	H	23
17	H	22
18	H	21
19	H	28
20	H	29
21	H	26
22	H	27
23	H	24
24	H	25
25	H	16
26	H	18
27	H	19
28	H	20
29	H	17


> <ALATIS_Mixture_Map>

$$$$
