
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.5224   -0.5613    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.5914    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6610   -0.5481    3.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8682   -2.6511    2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384   -1.1533    4.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3460   -3.2555    3.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0999   -1.2325   -0.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -1.9334   -1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0484   -0.6328    1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350   -1.2882    2.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3702   -1.2911   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -2.5031    4.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939   -1.3735   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0840   -3.2435    6.0776 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3925   -1.9203   -1.2902 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -1.9661   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -0.6974    0.9767 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1427   -0.0233    1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6658   -0.0671    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.5071    3.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -3.2467    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428   -0.5669    5.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6127   -4.3091    3.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1765   -1.2358   -0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -2.4926   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486   -1.0796    0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297    0.4262    1.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6  4  2  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7  1  1  0  0  0  0
  7 15  2  0  0  0  0
  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  8 25  1  0  0  0  0
  9 17  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12  5  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID>
Z57515803

>  <Barcode>
9990529446

>  <Well>
A03

>  <Plate_ID>
816280-04

>  <MW>
247.68

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H10ClNO2/c14-12-5-3-10(4-6-12)9-17-13(16)11-2-1-7-15-8-11/h1-8H,9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
