
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.1563    2.4810    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9190   -5.7996    0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488   -5.4279    0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762   -4.8341    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300   -4.1011    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -2.4574    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3406    1.2963   -0.2720 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2903   -3.5170    0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0684   -0.0297    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5883   -3.1395    0.2468 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -1.1329    0.0452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721    1.3589    0.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.1075    0.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371    2.5254   -0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187    2.4066    1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    3.4237    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6598   -6.8315    1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483   -6.1544    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202   -5.1094    0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5540   -3.7640    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762   -2.4276    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505   -2.7029   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2397    1.3642   -1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559   -1.0323   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813    1.5116    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 11 24  1  0  0  0  0
 12  7  1  0  0  0  0
 12 25  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID>
Z1551688335

>  <Barcode>
0110705762

>  <Well>
H03

>  <Plate_ID>
816280-02

>  <MW>
180.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-5,7,12H,6H2,1H3,(H,11,13)/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
