
    alatis_output_mol

 28 29  0  0  1  0  0  0  0  0999 V2000
   -0.1088   -4.1279    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9183   -4.0127   -0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661   -5.4360    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378   -5.3160   -1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301    0.4911   -1.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025   -0.8726   -1.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785   -1.9982    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    0.3751    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -3.4069    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011   -6.0242   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7457    1.3579   -0.7627 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2698   -7.6379   -1.2684 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -0.9642   -0.1495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546    2.0515   -1.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006   -3.6720    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7306   -3.4686   -1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755   -5.9888    0.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -5.7708   -2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7085    0.8556   -2.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    0.4299   -1.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702   -0.9048   -1.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3834   -1.6626   -2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -1.8110    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999   -1.9524    1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    0.5843    1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    0.4612    0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    2.1071   -0.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6421    1.3898   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  1  1  0  0  0  0
  3 17  1  0  0  0  0
  4  2  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  1  0  0  0
 12 10  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
>  <ID>
Z2856434858

>  <Barcode>
0110705214

>  <Well>
D07

>  <Plate_ID>
816280-07

>  <MW>
211.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
