
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.0420    0.3094    0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224   -0.6355    0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234   -6.1276   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429   -5.7865    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261   -7.4550   -0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4904   -7.1264    1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    0.9705   -0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894   -3.8145   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -1.5328   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -5.2661   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746   -0.6714    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -7.9748    0.0435 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185   -2.9434   -0.0063 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    0.4512   -1.2317 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    0.4916    1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0200   -1.2731    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906   -5.7818   -1.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426   -5.1543    1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -8.1574   -1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -7.5644    1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3899    1.7343   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6007   -3.6095   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -3.6326    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219   -1.3035   -0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008   -1.3089    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537   -3.1250   -0.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  2  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  3  1  0  0  0  0
  5 19  1  0  0  0  0
  6  4  2  0  0  0  0
  6 20  1  0  0  0  0
  7 14  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10  8  1  0  0  0  0
 11 14  1  0  0  0  0
 12  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
>  <ID>
Z2856434816

>  <Barcode>
0110770260

>  <Well>
A12

>  <Plate_ID>
816280-08

>  <MW>
204.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
