
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.1532    3.7743    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710   -0.7499    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416    0.6791    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118    1.3432    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116   -1.4676   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1934   -0.7133   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    0.6013    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2188   -0.7921   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384    1.4525    0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.1635    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    2.5120    0.7638 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522    1.1325    0.0619 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    0.2965    0.0724 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6658    1.4794    0.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3394   -1.4634   -0.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290   -1.4172   -0.1401 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437    3.8107    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741    3.9262    2.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7507    4.5570    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793   -0.1428   -0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6679   -0.1360    0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3820   -1.4828    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0388    1.2892    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8679    2.4279    0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0519   -2.5525   -0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547    2.3963    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669   -0.5126   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 15  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11  9  1  0  0  0  0
 11 26  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 13 27  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <ID>
Z371866204

>  <Barcode>
0110705820

>  <Well>


>  <Plate_ID>
816280-02

>  <MW>
237.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11N3O2S/c1-11-9(14)13-10-12-7-4-3-6(15-2)5-8(7)16-10/h3-5H,1-2H3,(H2,11,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
