
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.5094   -1.7306   -0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8993   -1.9313   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135   -0.3415   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0018   -0.5405   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4316    4.9424    0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0751    6.1848    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -2.5223   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562    0.2669   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315    2.6128   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5123   -4.2339   -0.7362 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    6.1988    0.9516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838    6.9861    0.5036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276    1.6472   -0.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    3.8368    0.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929    4.9001    0.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    2.4349   -0.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5302   -2.1822   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7947   -2.5471   -0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    0.2310   -0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9885   -0.1067   -0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    4.0789    1.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    6.4831   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9815    1.9651   -0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241    3.8629    0.8916 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 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  2  0  0  0  0
  4 20  1  0  0  0  0
  5 15  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  7  2  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <ID>
Z56259166

>  <Barcode>
0110770229

>  <Well>
D06

>  <Plate_ID>
816280-08

>  <MW>
237.65

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8ClN5O/c10-7-1-3-8(4-2-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
