
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    5.5251    2.0174    2.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -1.1651    1.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2280    0.0367    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707    1.3985    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -1.7480    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556    0.4408   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390   -1.0211   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    1.3662   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5089    1.3984    1.2130 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0452   -0.5207   -0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764   -1.4002    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0331    0.8646   -0.1676 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4864   -0.8914   -0.0261 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534   -2.5759    0.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436    0.2456   -1.2047 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526    2.1415    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    3.0065    2.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    1.3903    3.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0415   -1.9517    1.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   -0.9151    2.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6600   -0.1379    0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880    0.0896    1.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3571    1.1750    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422    2.4192    0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2353   -1.9270   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1948   -2.7284    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    0.8267   -1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534    0.3539   -1.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848   -2.0524   -1.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188    2.4269   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1035    2.0640    0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  2  0  0  0  0
  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  9  4  1  0  0  0  0
  9 31  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z1101755952

>  <Barcode>
9990530737

>  <Well>
C11

>  <Plate_ID>
816280-06

>  <MW>
224.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1

> <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	9
7	C	7
8	C	6
9	C	12
10	C	1
11	C	2
12	N	4
13	N	3
14	O	8
15	S	5
16	H	31
17	H	30
18	H	29
19	H	25
20	H	26
21	H	27
22	H	28
23	H	20
24	H	21
25	H	22
26	H	23
27	H	18
28	H	19
29	H	17
30	H	16
31	H	24


> <ALATIS_Mixture_Map>

$$$$
