
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.6066   -1.6528    1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7547    0.3442    1.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064   -2.0358    2.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4675   -0.0440    2.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447    0.3271   -2.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    2.0319   -2.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8459    0.7433   -3.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1699    2.4620   -4.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791   -0.4681    1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424   -1.2314    3.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175    0.9848   -2.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178    1.8204   -4.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -0.1322   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -1.7000    4.8615 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5102    0.6368   -1.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    2.2224   -5.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -0.5625   -0.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243   -2.2777    1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    1.2921    1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1622   -2.9536    3.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2664    0.5886    3.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6788   -0.5301   -2.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285    2.5516   -2.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7294    0.2295   -4.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7447    3.2985   -4.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4033    1.0320   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678    3.0510   -6.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  2 19  1  0  0  0  0
  3  1  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  2  0  0  0  0
  6 23  1  0  0  0  0
  7  5  2  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8  6  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11 15  1  0  0  0  0
 12  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 15 26  1  0  0  0  0
 16 12  1  0  0  0  0
 16 27  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z56346825

>  <Barcode>
0110705238

>  <Well>
A01

>  <Plate_ID>
816280-01

>  <MW>
247.68

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H10ClNO2/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(16)8-6-11/h1-8,16H,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
