
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.6062    0.0397   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177   -3.6829    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127   -4.9968    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    0.4633   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    2.1214   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010    0.7497   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201   -2.9239    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813    0.8375   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232   -1.4571   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.9602   -0.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -4.9747    0.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    0.0187   -0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977   -3.7350   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335   -0.7280    0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4774    2.5189   -0.0227 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4697   -1.0453   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1801    0.3114   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    0.3137    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -3.3004    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570   -5.9242    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    0.8778   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414    0.8754    0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8988    2.8883   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880   -1.6137   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103   -5.7653    0.0022 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  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  2  2  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10 24  1  0  0  0  0
 11  3  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z466628048

>  <Barcode>
0110705953

>  <Well>
H02

>  <Plate_ID>
816280-03

>  <MW>
222.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
