
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0898    3.4288    0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876    2.3536    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    3.2053    1.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898   -3.3224   -1.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843   -4.0870   -2.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425    0.8237    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746    1.0476    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344    1.9079    1.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0602   -2.1938   -1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1058   -0.0436   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310    1.6393    2.4946 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4267   -1.1408   -0.5908 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762   -2.2949   -1.4529 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    0.1299   -0.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754   -3.4744   -2.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028    4.4334    0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471    2.5336   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688    4.0425    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6638   -3.5514   -1.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -5.0277   -2.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -0.1773    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5811   -1.1755   -0.5644 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 16  1  0  0  0  0
  2  7  2  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  4  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  2  0  0  0  0
  9 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 12 22  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15  5  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <ID>
Z86622311

>  <Barcode>
0110770194

>  <Well>
G06

>  <Plate_ID>
816280-08

>  <MW>
222.63

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H7ClN2O2/c11-8-3-1-2-7(6-8)10(14)12-9-4-5-15-13-9/h1-6H,(H,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
