
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
    3.1932    0.8289    2.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837    0.9696   -6.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780    0.7870    2.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717    2.3160   -2.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620    0.0007   -3.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1387    1.7737   -1.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1605   -0.5274   -2.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754    1.8758   -5.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9617    0.0246   -0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    1.0347    0.8216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0507    1.3655   -3.9638 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769    0.4619   -1.2912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    3.0601   -5.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -1.1586    0.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5806    1.7819    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475    0.0268    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    0.7206    3.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201    1.4895   -7.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496    0.0246   -6.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    0.7764   -6.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.1758    2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2475    1.5781    2.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    2.4733   -2.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2049    3.2869   -3.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    0.0496   -3.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545   -0.7047   -4.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    2.5021   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258    1.6277   -1.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108   -0.7482   -2.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036   -1.4629   -2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    1.9024    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  8  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 10  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  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 11  1  0  0  0  0
 10  9  1  0  0  0  0
 10 31  1  0  0  0  0
 11  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID>
Z44590919

>  <Barcode>
0110705793

>  <Well>
F10

>  <Plate_ID>
816280-02

>  <MW>
199.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
