
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -4.5833   -4.2791   -1.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7593   -1.9224    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2382   -4.2152   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820   -1.4368   -0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1322   -3.6552   -1.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375   -3.5665   -0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141   -2.8817    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827   -3.6339    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531   -2.7115    0.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137   -2.2797   -0.2241 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2706   -1.8849    0.2454 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087   -3.2415    0.0804 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143   -4.7727   -0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7080   -2.3996   -1.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394   -4.4090    0.0064 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336   -4.7543   -2.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0656   -5.0545   -0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3455   -3.5818   -1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448   -2.0566    1.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921   -1.1746    0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -5.1717   -0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8308   -4.3992    0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114   -1.2435   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1761   -0.5052   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687   -3.5144   -2.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9521   -4.3516   -1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1978   -1.7399    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 12  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  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 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  9 27  1  0  0  0  0
 10  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z410633222

>  <Barcode>
0110705976

>  <Well>
F01

>  <Plate_ID>
816280-03

>  <MW>
228.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N4O2S/c1-6-10-11-7(15-6)9-8(13)12-2-4-14-5-3-12/h2-5H2,1H3,(H,9,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
