
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.6885    2.2388   -1.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275    0.0224   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347   -1.2496    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    1.2668    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506    0.0113    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    2.2509   -0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -1.2773   -0.2003 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4532   -2.4915    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389   -2.6760   -0.0429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7317    1.1978   -0.2445 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    3.2170   -1.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9453   -3.2825    1.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650    3.1581   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857    1.4065   -1.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117    2.2251   -2.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4895    0.0039   -1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4534    0.0559    0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -1.3068    1.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573   -2.1280   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681    2.1582   -0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691    1.3471    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -0.0035   -0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855    0.0783    1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822   -1.3584   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -2.2231   -0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918   -3.5271    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
M  END
>  <ID>
Z220816104

>  <Barcode>
0110705993

>  <Well>
E07

>  <Plate_ID>
816280-03

>  <MW>
170.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
