
    alatis_output_mol

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.7317    2.2904   -1.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4322   -0.2820    5.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228    0.0976   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -1.2316   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710   -1.4210    2.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362    1.3365    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    0.0382    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1193   -1.4802    3.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    2.3203   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7765   -1.1915    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127   -1.3553    1.6923 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    1.2393   -0.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    3.3185   -1.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852   -0.2920    4.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    3.2320   -1.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344    1.4906   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    2.2135   -2.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437   -0.2791    6.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9198    0.6290    6.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8717   -1.1459    6.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478    0.0448   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4661    0.1899    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053   -2.1099    0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6892   -1.3438   -1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -2.2996    1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7359   -0.5228    1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    2.2222   -0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.4567    1.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936    0.1280    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.0402   -0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -1.5302    4.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636   -2.3639    4.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923   -2.0528   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -0.5928    2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  5  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
 10  4  1  0  0  0  0
 10 33  1  0  0  0  0
 11 10  1  0  0  0  0
 11 34  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z2856434813

>  <Barcode>
0110706248

>  <Well>
H09

>  <Plate_ID>
816280-07

>  <MW>
200.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	10
2	C	14
3	C	6
4	C	7
5	C	12
6	C	4
7	C	3
8	C	13
9	C	2
10	C	8
11	N	9
12	N	1
13	O	5
14	O	11
15	H	26
16	H	25
17	H	27
18	H	34
19	H	32
20	H	33
21	H	19
22	H	20
23	H	21
24	H	22
25	H	28
26	H	29
27	H	17
28	H	18
29	H	15
30	H	16
31	H	30
32	H	31
33	H	23
34	H	24


> <ALATIS_Mixture_Map>

$$$$
