
    alatis_output_mol

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8871    3.0542   -1.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447    2.4784    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -1.0115   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4108    0.0052   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018   -3.2179   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4635    1.0110   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   -1.5425   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -0.7523   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763   -2.0922   -0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229   -2.9214   -0.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538    0.5691   -0.0173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.5245   -0.0093 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965    2.5632   -1.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1131    4.1242   -1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361    2.9272   -1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579    3.0019    0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686    2.6669    0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7989    0.0068   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4870    0.0950    0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9209   -4.2156   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2869   -2.0710   -0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9  3  1  0  0  0  0
  9 21  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <ID>
Z1530301542

>  <Barcode>
0110705834

>  <Well>
B03

>  <Plate_ID>
816280-02

>  <MW>
179.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
