
    alatis_output_mol

 30 31  0  0  1  0  0  0  0  0999 V2000
    2.1772    2.6246   -4.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297    1.5955   -5.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    2.5194    0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    1.9242   -6.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    1.5821   -4.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981    1.1303    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600    3.3879    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647    2.3088   -5.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376    2.2664   -6.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312    1.9351   -4.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400    1.2673   -0.4820 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3484    0.9722   -1.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    2.6001   -7.6955 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    1.9547   -2.8033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9556   -0.0555   -2.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6220    2.6241   -0.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    2.7037   -3.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938    3.5848   -5.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519    1.8325   -5.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329    1.3455   -6.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917    2.7536    1.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    2.6376   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844    1.9140   -7.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980    1.3265   -3.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013    0.9217    1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    0.3511    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584    4.3218   -0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0631    3.6237    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701    0.5841   -0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7496    2.5829   -2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  3  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  1  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 30  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z1545312521

>  <Barcode>
0110706302

>  <Well>
C10

>  <Plate_ID>
816280-07

>  <MW>
239.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	12
3	C	16
4	C	13
5	C	10
6	C	15
7	C	14
8	C	4
9	C	6
10	C	3
11	C	5
12	C	1
13	Cl	9
14	N	2
15	O	7
16	O	8
17	H	20
18	H	21
19	H	22
20	H	23
21	H	29
22	H	30
23	H	24
24	H	19
25	H	27
26	H	28
27	H	25
28	H	26
29	H	18
30	H	17


> <ALATIS_Mixture_Map>

$$$$
