
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.4744    2.1475    0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7797   -4.2643    1.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7057   -3.0385    2.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219   -3.0758    1.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357   -1.8471    2.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -6.9504    2.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2716   -6.0637    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4379   -7.5643    1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0648   -6.7143   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463   -5.5676    2.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554   -4.2644    2.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932   -6.1711    1.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9198   -1.8646    1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177    0.4901    0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -7.4641   -0.2764 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528   -0.7692    0.8312 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    1.2182   -0.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.8410    1.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340    2.0508    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140    2.5917    1.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7354    2.8203    0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -5.1970    1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -3.0023    3.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494   -3.1233    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941   -0.9338    2.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032   -7.0911    3.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -5.4911   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3043   -8.1781    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8431   -6.6484   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956   -6.3099    3.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -5.3964    3.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -0.9436    0.3234 H   0  0  0  0  0  0  0  0  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
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4 13  2  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  2  0  0  0  0
  7 27  1  0  0  0  0
  8  6  2  0  0  0  0
  8 28  1  0  0  0  0
  9  7  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  1  0  0  0  0
 16 32  1  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <ID>
Z57190020

>  <Barcode>
9990529568

>  <Well>
F09

>  <Plate_ID>
816280-04

>  <MW>
242.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	11
3	C	12
4	C	10
5	C	9
6	C	16
7	C	17
8	C	14
9	C	15
10	C	8
11	C	7
12	C	13
13	C	5
14	C	1
15	N	4
16	N	2
17	O	3
18	O	6
19	H	32
20	H	30
21	H	31
22	H	24
23	H	25
24	H	23
25	H	22
26	H	28
27	H	29
28	H	26
29	H	27
30	H	20
31	H	21
32	H	19


> <ALATIS_Mixture_Map>

$$$$
