
    alatis_output_mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.1005    1.6920   -1.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160    4.0100   -0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2748    1.5469   -1.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    3.8660   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7704    1.5615   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8914    2.9275    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7274    2.9170   -1.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0457    2.6285   -0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    1.4458   -0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4187    3.0737   -1.6937 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9918    4.0606    0.9575 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4407    2.5483   -0.6347 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673    0.3849   -1.3138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6734    0.8334   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    4.9696   -0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.5642   -1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9401    4.7471   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4673    1.4699   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9335    0.7704    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151    3.4242   -0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  3  0  0  0  0
  7  2  2  0  0  0  0
  8 12  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 12  9  1  0  0  0  0
 12 20  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID>
Z56837087

>  <Barcode>


>  <Well>
G06

>  <Plate_ID>
816280-05

>  <MW>
194.62

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
