
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.2181   -3.1972    1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -5.6523   -1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7259   -2.0768    0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -3.3270   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2651   -4.9850    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382   -1.8160    0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3450   -2.4956    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490   -2.6513    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115   -2.4732    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1183   -3.6573   -0.3176 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1476   -3.5842   -0.0196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355   -1.3369    0.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7454   -3.7384   -0.4667 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2923   -3.0080    1.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -2.3710    1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -4.1111    1.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901   -5.6664   -1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7832   -6.6862   -1.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1874   -5.1293   -1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213   -1.9618   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7309   -1.1194    1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2118   -2.8195    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666   -2.4041   -0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0654   -4.1385   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797   -5.0582    0.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037   -5.5223    0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -0.8580    1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  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  8  2  0  0  0  0
  6 27  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 10 13  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z135439900

>  <Barcode>
0110706309

>  <Well>
C03

>  <Plate_ID>
816280-07

>  <MW>
182.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
