
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.5701    0.0455    1.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144    2.6231   -2.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818    1.3220   -1.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    1.1609    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1536   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -1.3292   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232   -0.0340    0.2284 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3833    2.6454   -3.7940 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    1.2003   -0.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028   -1.2881    0.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    0.9732    2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6447   -0.0068    2.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013   -0.7899    2.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8539    2.7250   -2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7255    3.4897   -1.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281    0.4661   -2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526    1.2970   -1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3427    2.0127   -0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992    1.2968    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279   -0.2757   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986   -0.1464    0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -1.5125   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0338   -2.1954    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -0.0936   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    3.5027   -4.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.8782   -4.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  4  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8  2  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <ID>
Z1263811695

>  <Barcode>
9990531736

>  <Well>
A08

>  <Plate_ID>
816280-06

>  <MW>
144.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H16N2O/c1-7-6-10-5-4-9(7)3-2-8/h7H,2-6,8H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
