
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    5.3923   -4.0214    1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -4.9062   -0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3767    0.6877   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3297   -0.6996    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904    1.4162   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972   -1.3522    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532    1.4655    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    0.7758    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6886   -3.6511   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476    0.7553    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043   -0.6566    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199   -0.6101    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039   -1.3826    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5647   -2.7567   -0.0100 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2675   -1.3363    0.1861 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828   -0.8052   -0.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6809   -3.1292    1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445   -4.6281    1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997   -4.5993    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7206   -4.6455   -1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5248   -5.4877   -0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0800   -5.5499   -1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3316    1.1996   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2516   -1.2764    0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354    2.5013   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763   -2.4371    0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608    2.5533    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4059    1.3059    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081   -3.1228   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -3.1202    0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
 10  7  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 15  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 30  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <ID>
Z31385861

>  <Barcode>
0110706313

>  <Well>
B02

>  <Plate_ID>
816280-07

>  <MW>
214.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	16
4	C	15
5	C	12
6	C	11
7	C	9
8	C	7
9	C	10
10	C	8
11	C	5
12	C	3
13	C	2
14	N	4
15	N	1
16	O	6
17	H	24
18	H	23
19	H	25
20	H	28
21	H	26
22	H	27
23	H	30
24	H	29
25	H	22
26	H	21
27	H	19
28	H	18
29	H	20
30	H	17


> <ALATIS_Mixture_Map>

$$$$
