
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.0388    2.0573   -1.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0122   -5.6234   -0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -4.7689   -1.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3132   -5.0221    0.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -3.3113   -1.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603   -3.5393    1.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    0.7742   -0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282   -1.4921   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1447    0.6429    0.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -0.6760    0.9034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3596   -2.8377   -0.1327 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -0.6940   -1.2915 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4859    1.9369   -2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998    2.4774   -0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2186    2.7765   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396   -6.6379   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871   -5.7043   -0.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -4.8315   -1.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3942   -5.1536   -2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846   -5.5880    1.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -5.1237    0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -2.7332   -2.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -3.2138   -1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188   -3.4225    1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -3.1472    1.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  1  0  0  0  0
  9  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <ID>
Z1251207602

>  <Barcode>
9990531834

>  <Well>
A05

>  <Plate_ID>
816280-06

>  <MW>
183.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
