
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
   -5.3983    0.2272   -2.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3740   -2.8865   -0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3581   -0.0346   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504   -1.2376   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355    1.1580   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    0.0664   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9140    0.1838   -1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674   -0.0523   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6581    1.1618   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541   -1.2613   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932    2.8036   -0.0418 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561    0.0594   -1.3817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6906    0.2473   -0.5844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685   -2.5202    0.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9811    1.1405   -3.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5715    0.2214   -3.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0329   -0.6459   -3.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3399   -2.4287   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397   -3.9728   -0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135   -2.6676   -0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431   -0.0470    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -2.1748    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683    2.1078   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180   -0.7146    0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2553    1.0079    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506    0.0557   -2.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 12 26  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z955369596

>  <Barcode>
0110705980

>  <Well>
F05

>  <Plate_ID>
816280-03

>  <MW>
258.12

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12BrNO2/c1-7(13)12-6-8-5-9(11)3-4-10(8)14-2/h3-5H,6H2,1-2H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
