
    alatis_output_mol

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.8045    3.2505    1.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593    2.8996    1.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7869    2.2627    1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -7.2766   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946    1.5604    1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    0.9241    1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877   -6.0730    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914   -2.4976   -0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -3.7372   -1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   -7.2331   -0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056   -3.6252    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    0.5678    1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -4.8682   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493   -2.4294   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094   -4.9301   -0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7706   -0.8768    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622   -6.0940   -0.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -1.1523    0.0105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089   -1.6988    1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0860    4.2946    1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035    3.6739    1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325    2.5308    1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -8.2197    0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    1.3112    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976    0.1567    1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186   -6.0737    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183   -1.5967   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952   -3.7711   -1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133   -8.1429   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7836   -3.6218    0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8445   -0.3669   -0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  3 22  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5 12  2  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  9  8  2  0  0  0  0
  9 28  1  0  0  0  0
 10 17  2  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 31  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <ID>
Z453319206

>  <Barcode>
0110705838

>  <Well>
B07

>  <Plate_ID>
816280-02

>  <MW>
248.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	19
2	C	17
3	C	18
4	C	16
5	C	15
6	C	14
7	C	13
8	C	11
9	C	10
10	C	12
11	C	8
12	C	9
13	C	5
14	C	3
15	C	7
16	C	1
17	N	4
18	N	2
19	O	6
20	H	31
21	H	29
22	H	30
23	H	28
24	H	27
25	H	26
26	H	25
27	H	23
28	H	22
29	H	24
30	H	21
31	H	20


> <ALATIS_Mixture_Map>

$$$$
