
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
   -1.1732    2.5077    1.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959   -5.4933   -2.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1319   -6.9626   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    2.1898    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3920   -5.1531   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506   -3.6880   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6290    0.8296   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819   -1.4858   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -2.8424   -0.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    0.5867   -0.3080 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985   -0.7668   -0.3957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8272   -5.5682   -0.7809 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090   -3.3658   -0.5373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -0.5843    0.0256 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409    3.5226    1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601    2.4347    2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    1.8125    2.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.4613   -2.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -6.1030   -2.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4834   -5.8354   -2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -7.6448   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3191   -7.0558    0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406   -7.3009   -0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025    2.2800   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5730    2.9316   -0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2249   -5.2509    1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2545   -5.7754   -0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -3.2387   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  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
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  9  8  1  0  0  0  0
  9 28  1  0  0  0  0
 10  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z2856434846

>  <Barcode>
9990529598

>  <Well>
C10

>  <Plate_ID>
816280-04

>  <MW>
214.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H14N4OS/c1-4-7-10-11-8(14-7)9-6(13)5-12(2)3/h4-5H2,1-3H3,(H,9,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	12
3	C	13
4	C	11
5	C	9
6	C	7
7	C	6
8	C	1
9	N	5
10	N	4
11	N	3
12	N	10
13	O	8
14	S	2
15	H	27
16	H	28
17	H	26
18	H	20
19	H	22
20	H	21
21	H	24
22	H	23
23	H	25
24	H	18
25	H	19
26	H	16
27	H	17
28	H	15


> <ALATIS_Mixture_Map>

$$$$
