
    alatis_output_mol

 32 34  0  0  0  0  0  0  0  0999 V2000
   -6.8456    1.1770   -3.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7766    2.1427   -4.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160   -2.6154   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5753   -1.6140    1.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018   -4.0070   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5569   -3.0273    2.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6629   -0.2385   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8785   -1.6248    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3013    2.1274   -2.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8797    0.5108   -0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3945    1.5815   -1.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1868   -4.0106    1.2928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4771    0.5851   -1.9468 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4056    2.0848   -0.4942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901    1.3726    0.1460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8499    1.3565   -4.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5813    0.1278   -3.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7851    1.7487   -4.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0445    2.9865   -4.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6541   -2.2961   -0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -2.6604   -1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0674   -0.9245    2.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6133   -1.2689    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734   -4.3869   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -4.7063   -0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5232   -3.3317    2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0821   -3.0282    3.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752    0.3709    0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389   -0.3484   -1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669   -2.0242    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9395    2.9480   -2.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1828   -3.8050    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  1  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  4  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  7  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 12  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12 32  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <ID>
Z2442270563

>  <Barcode>
9990531660

>  <Well>
G12

>  <Plate_ID>
816280-06

>  <MW>
207.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	7
2	C	8
3	C	14
4	C	15
5	C	12
6	C	13
7	C	10
8	C	11
9	C	5
10	C	4
11	C	2
12	N	9
13	N	1
14	N	3
15	O	6
16	H	17
17	H	18
18	H	19
19	H	20
20	H	29
21	H	30
22	H	31
23	H	32
24	H	25
25	H	26
26	H	27
27	H	28
28	H	22
29	H	23
30	H	24
31	H	16
32	H	21


> <ALATIS_Mixture_Map>

$$$$
