EOS102831
    alatis_output_mol

 18 19  0  0  1  0  0  0  0  0999 V2000
    1.2390    0.3520   -2.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050   -0.4540    0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -0.8160    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6300   -1.8940   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900    0.4060    0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -1.7570   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490    1.9090   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -1.3370    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650    0.6640   -1.0090 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4120    0.5610    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -0.5380    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    2.5080    0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -1.2900    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -0.1450    0.8420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210    1.8670    0.7840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2240   -0.4450   -0.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    3.6700    0.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -2.0580    1.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  1  0  0  0
 10  5  1  0  0  0  0
 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  0  0  0  0
 12 17  2  0  0  0  0
 13  8  1  0  0  0  0
 13 18  2  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 16 11  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <ID>  (1) 
EOS102831

>  <Supplier>  (1) 
SIA Enamine

>  <Supplier_ID>  (1) 
EN300-30627

> <ALATIS_Standard_InChI>
InChI=1S/C13H17N3O2/c1-9-7-12(17)15-10-5-3-4-6-11(10)16(9)13(18)8-14-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,17)/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
