
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.0975    7.4294   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264    6.6832   -0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0441    6.5958    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    5.2334   -0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206    0.8731   -1.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    1.4335   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3556    2.9531   -2.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    1.6525   -2.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    5.1495   -0.1744 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1073    3.4397   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3191    1.1577   -3.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2696   -0.1921   -4.2008 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0765    2.6772   -0.2639 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936    4.6969   -1.3578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066    1.9215   -4.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    8.5052   -0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136    7.0666   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    6.8685   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973    6.7459    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657    4.9485    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734    4.6015   -1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380   -0.1254   -1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736    0.8834    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    3.5665   -3.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    4.4935    0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107   -0.8113   -3.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4800   -0.4908   -5.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756    5.4098   -1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6  5  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 14 28  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z1416571195

>  <Barcode>
9990531939

>  <Well>
H04

>  <Plate_ID>
816280-05

>  <MW>
203.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
