
    alatis_output_mol

 27 27  0  0  1  0  0  0  0  0999 V2000
    4.5959   -5.8644    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2404    0.7091   -0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938    0.5321    0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5183    0.1506   -1.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5204   -3.5986    0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506   -1.4558    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863   -5.1073    0.8281 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1541   -0.7208    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844   -0.1816    1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591   -0.5634   -1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340   -0.3591    2.7504 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4634   -1.2518   -2.6426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2386   -2.9036    0.3973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957   -5.6501   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025   -6.9372    1.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2298   -5.7512    0.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1514   -5.5185    1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1503    1.2697   -0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3702    0.9529    1.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8773    0.2742   -2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0301   -3.1904    1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639   -3.4432   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -1.2232   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -1.0771    1.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6645   -5.2771    1.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707   -3.2196   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876   -5.3049   -0.2381 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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  1  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <ID>
Z2856434909

>  <Barcode>
9990529577

>  <Well>
E07

>  <Plate_ID>
816280-04

>  <MW>
234.13

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
