
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    5.0273   -4.1602    1.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3423    5.2132   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2048    4.3712    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1725    4.6991   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    3.0130    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323    3.3384   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217   -3.5548   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597    0.0894    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363    2.4752   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574    1.0410    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344   -2.9296   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7789   -0.7962   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    0.5190    0.0145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9006   -1.5926   -0.0305 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060   -3.5924   -0.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -3.4024    1.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834   -1.4767    0.0625 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -5.2157    1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247   -4.0902    2.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8289   -3.7512    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822    6.2679   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    4.7678    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992    5.3569   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    2.3835    1.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0413    2.9524   -1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9956   -3.0798   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301   -4.6199   -0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304    0.2229    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699   -1.1066    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5  9  2  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 14 29  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z62645406

>  <Barcode>
9990529579

>  <Well>
E05

>  <Plate_ID>
816280-04

>  <MW>
248.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
