
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.2406   -5.5105   -1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4107   -5.3447    1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198    2.4956   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3187   -0.0608   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594   -4.8193    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    1.0592   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -1.1481   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540   -2.5627   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -3.3739    0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8233    0.6834   -0.1656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928   -3.0223   -0.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -0.7010   -0.1238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5714   -5.1293   -1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -6.5901   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -5.3518   -1.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -6.4237    1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -5.1537    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236   -4.8550    2.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8837    2.6301   -0.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146    2.9650    0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469    3.0236   -1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3972   -0.0852   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -5.0460    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728   -2.9401   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  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  5  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 24  1  0  0  0  0
 10  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <ID>
Z135394292

>  <Barcode>
0110706028

>  <Well>
B05

>  <Plate_ID>
816280-03

>  <MW>
168.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12N2O2/c1-5(2)9-8(11)7-4-6(3)10-12-7/h4-5H,1-3H3,(H,9,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
