
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    5.9915   -4.8760   -0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -2.1133    1.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0336   -3.3825   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7217   -1.3160    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -3.3563   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279   -0.6088    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2823   -2.6448   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1465   -0.8661    0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7136   -2.6982   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -1.2619    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0613   -0.4687    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    1.3600   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4175    2.5958   -0.6171 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594    0.8259   -0.2761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121    0.3835    0.5723 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -5.0902   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5973   -5.4427    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0013   -5.2449   -1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -2.5745    2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9632   -2.8352    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3455   -1.9164    2.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942   -3.2226    0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942   -2.8835   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6627   -0.7692    0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153   -4.4272   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704    0.4686    0.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490   -3.1942   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3807    3.1982   -0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2261    3.0614   -0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z48847639

>  <Barcode>
9990531943

>  <Well>
H08

>  <Plate_ID>
816280-05

>  <MW>
218.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14N2S/c1-3-9-4-6-10(7-5-9)11-8(2)15-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	13
3	C	14
4	C	10
5	C	11
6	C	8
7	C	9
8	C	4
9	C	12
10	C	6
11	C	2
12	C	3
13	N	7
14	N	1
15	S	5
16	H	29
17	H	27
18	H	28
19	H	22
20	H	23
21	H	24
22	H	25
23	H	26
24	H	20
25	H	21
26	H	18
27	H	19
28	H	16
29	H	17


> <ALATIS_Mixture_Map>

$$$$
