
    alatis_output_mol

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.6427   -2.4846    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    0.6193    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307    5.6510    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1727   -0.0273   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    4.1959    2.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836    1.0951    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949    4.6521    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377    3.3967    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    4.9863   -1.3292 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    5.4540    1.7012 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6433    3.1436    1.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920   -0.7167   -0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -1.0819   -0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802    2.3488    0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2177   -2.9348    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200   -2.9455   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -2.5987    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653    1.1804    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3907    6.6765    0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   -0.1590   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9249    4.0141    3.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5 11  2  0  0  0  0
  5 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID>
Z1918536193

>  <Barcode>
0110706335

>  <Well>
A01

>  <Plate_ID>
816280-07

>  <MW>
210.62

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
