
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.7716   -3.6897   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5406   -1.0904   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6816    2.6032    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8091   -2.7974   -2.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080   -2.7188   -0.0524 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1560   -0.5537   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216    1.1883    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0506   -1.2468    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529   -3.0068   -1.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0374    0.8298    0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3407   -0.0979    0.1987 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105   -3.5555   -0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945   -3.5752    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175   -4.7273   -0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -0.2749   -0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -1.6738   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7658   -1.7123    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    2.6918    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3045    3.1242    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2943    3.1135   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135   -2.9188   -3.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -1.7931   -2.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0428   -3.5381   -2.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -2.9481    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607   -2.3951   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9  5  1  0  0  0  0
  9 25  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <ID>
Z1266823232

>  <Barcode>
0110770213

>  <Well>
E11

>  <Plate_ID>
816280-08

>  <MW>
170.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
