
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.4934   -0.4113   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -0.5720    1.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422   -1.8223    1.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803   -3.2647    1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928   -0.4268    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3286   -2.5760   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -0.0356   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -0.4492    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347   -3.0419    1.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0749   -1.0086   -0.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    1.2370    0.1862 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3112   -1.1100   -0.0187 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    1.2715    0.2741 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435    0.4701   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895   -1.0643    0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662   -0.9398   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412   -0.5827    2.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6932    0.3025    1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0022   -2.0305    2.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701   -1.5954    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263   -3.0117    2.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9429   -4.3458    0.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5213    0.6360   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3220   -0.8295   -0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978   -2.8586   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3154   -2.9953   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911   -3.0329    0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  2  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9 27  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <ID>
Z1578665941

>  <Barcode>
0110706307

>  <Well>
C05

>  <Plate_ID>
816280-07

>  <MW>
198.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)12-5-2-3-9-4-6-12/h9H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
