
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.7517    2.3137   -1.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4422    0.0660   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.2490   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416    1.3249    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684    0.0368    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7526   -1.2210    1.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    2.3202   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7430   -1.1990    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7605   -1.2393    3.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7381    1.2120   -0.4045 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    3.3124   -1.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    3.2755   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564    1.5468   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219    2.2039   -2.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    0.1492    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -0.0044   -1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -2.1072    0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972   -1.3891   -1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492    2.1912   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    1.4976    1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6124    0.1540    1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585   -0.0435   -0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837   -2.0838   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8 23  1  0  0  0  0
  9  6  3  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <ID>
Z952656810

>  <Barcode>
0110706277

>  <Well>
E11

>  <Plate_ID>
816280-07

>  <MW>
152.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
