
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.7187   -2.5938   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7387    0.6458   -1.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5732    1.9694   -0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -0.1571   -2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.1668   -0.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2699   -1.1465   -0.2362 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7202    1.7005   -0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656    0.0842   -1.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947   -0.2657    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1193    2.6777   -0.7428 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2494    0.0932   -1.0321 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221    0.0792    1.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4077   -0.7653   -1.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525   -3.2515   -0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -2.9212    0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238   -2.7308   -1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6306    0.4415   -2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493    2.7989    0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6196   -0.9839   -2.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5557    1.4121    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4036   -1.0938    0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8710    0.0063   -1.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026    0.7486   -0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
M  END
>  <ID>
Z19727416

>  <Barcode>
0110705937

>  <Well>
B10

>  <Plate_ID>
816280-01

>  <MW>
199.64

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
