
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.7845   -7.0108   -0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497   -5.7707    1.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718   -0.3726   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -4.6886   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236   -3.2957   -0.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4177   -3.5381    0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365   -5.5247   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3465   -4.9422    0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2879   -0.2900    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621   -2.7015   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854   -1.2521    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816    0.5648    0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    1.3093    0.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -0.7401    0.1719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664    1.2760    0.0838 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0182   -7.5856    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052   -7.2630   -1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604   -7.3387   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423   -6.4733    1.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855   -6.3230    0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0047   -5.1481    1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220   -0.0335   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350    0.2607    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451   -1.3852    0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834   -5.1237   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942   -2.6950   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -3.0819    1.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573    0.8235    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564    2.2613   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  2  0  0  0  0
  6 27  1  0  0  0  0
  7  4  1  0  0  0  0
  7  8  2  0  0  0  0
  8  6  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  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
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z48847633

>  <Barcode>
9990531942

>  <Well>
H07

>  <Plate_ID>
816280-05

>  <MW>
218.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
