
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.3249   -5.3790   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450   -4.6586    0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0118   -0.7521    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0100    0.6441   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8104   -1.4751    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126    1.3623   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7751    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    0.6125    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9161   -3.3345    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8013   -1.1094    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    0.0912    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    0.3866    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2013    1.7179    0.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001   -2.3651    0.2234 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022   -3.1779    1.8908 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862   -0.4601    0.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    1.1389    0.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -5.4416   -0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271   -6.3966   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581   -4.8582   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232   -5.2744    1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -4.4988    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572   -1.2901    0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    1.1820   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286   -2.5602    0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7902    2.4444   -0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562    2.3961    0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569    1.9934    0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890   -2.4097   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 10  1  0  0  0  0
 14 29  1  0  0  0  0
 15  9  2  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z108545814

>  <Barcode>
9990529575

>  <Well>
E09

>  <Plate_ID>
816280-04

>  <MW>
232.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	14
3	C	15
4	C	17
5	C	12
6	C	13
7	C	4
8	C	5
9	C	8
10	C	2
11	C	1
12	C	6
13	N	11
14	N	7
15	O	10
16	O	9
17	O	3
18	H	26
19	H	27
20	H	28
21	H	23
22	H	24
23	H	25
24	H	29
25	H	21
26	H	22
27	H	19
28	H	20
29	H	18


> <ALATIS_Mixture_Map>

$$$$
