
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.8365    0.2150   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1326    0.6363    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -0.7571    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9436    1.3719   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8959   -1.4584    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663   -3.1919   -1.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521   -2.3944   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    0.1344   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784    0.6842   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -0.7058    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -4.6093   -1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835   -5.4002   -2.2095 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    1.1825   -0.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6244   -1.0394   -0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717   -5.0446   -0.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1566    1.2630   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643   -0.2628   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2431   -0.2573    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852    1.1589    0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0439   -1.3089    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    2.4566   -0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -2.5416    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759   -2.7203   -2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795   -3.2416   -1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793   -2.8700    0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2423   -2.3444    0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878   -5.0785   -2.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777   -6.3694   -2.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13  8  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z53116498

>  <Barcode>
9990531989

>  <Well>
D06

>  <Plate_ID>
816280-05

>  <MW>
203.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	15
3	C	14
4	C	13
5	C	12
6	C	7
7	C	6
8	C	3
9	C	5
10	C	4
11	C	8
12	N	10
13	N	2
14	N	1
15	O	9
16	H	22
17	H	23
18	H	24
19	H	28
20	H	27
21	H	26
22	H	25
23	H	18
24	H	19
25	H	16
26	H	17
27	H	20
28	H	21


> <ALATIS_Mixture_Map>

$$$$
