
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    4.3456    2.5348   -2.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492    2.4602   -1.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016    1.5643   -3.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   -0.0101    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854    1.1272    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015   -1.3281   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3822   -0.2122   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622    0.4418   -3.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881    1.3241   -1.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    1.4124   -2.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579    0.5214   -3.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179   -0.6818   -4.7999 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    1.1939   -0.2774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6466   -1.3260    0.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016    3.3488   -2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7049    3.2157   -1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8118    1.6243   -3.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    0.0866    1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585   -0.0471   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646    1.9599   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853    1.2708    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6985   -1.5257   -1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227   -2.1609    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313   -0.3534   -1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3719   -0.2272    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   -0.3799   -3.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742    2.2476   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548    0.5101   -2.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  4  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 14  6  1  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <ID>
Z2856434856

>  <Barcode>
9990531724

>  <Well>
B05

>  <Plate_ID>
816280-06

>  <MW>
211.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
