
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -0.0583    3.5284    0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012    2.3304    1.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107   -2.3485   -1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -1.1614   -1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -3.5813   -0.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8056   -2.4511    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    2.8978   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891   -1.2131   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1622   -3.6264   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.0025    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277    2.4499    0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067   -5.1452    0.2756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3695    1.1642    0.3333 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914    3.1489   -1.6885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904   -0.0923    0.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    4.4984    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582    3.6558   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504    3.2626    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    3.2868    2.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    2.0220    2.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6084    1.5938    1.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -2.3177   -2.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623   -0.2137   -1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810   -4.5025   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7171   -2.4906    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    3.8281   -0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7684    2.1493   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416    1.1413    0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662    3.3563   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  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
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5  9  2  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 28  1  0  0  0  0
 14  7  1  0  0  0  0
 14 29  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z68299550

>  <Barcode>
9990529586

>  <Well>
D03

>  <Plate_ID>
816280-04

>  <MW>
227.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
