
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -1.1901   -0.9589    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999   -0.6366   -3.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896   -0.1598   -3.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366   -0.6044   -2.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926    0.3452   -2.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    0.0392    2.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445   -0.1130   -1.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -1.1288    3.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -0.1118   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081    0.3814   -1.6169 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353   -0.3540    1.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -1.0911    4.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -2.2034    2.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1934    0.0570    0.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370   -0.2437    1.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338   -1.2825   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -1.8518    1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -1.0331   -4.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0363   -0.1786   -4.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413   -0.9665   -2.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    0.7385   -3.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4149    0.7209    2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762    0.5651    2.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757   -1.9807    1.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 13 24  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID>
Z1171978788

>  <Barcode>
0110706040

>  <Well>
A08

>  <Plate_ID>
816280-03

>  <MW>
194.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10N2O3/c1-11(6-8(12)13)9(14)7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
