
    alatis_output_mol

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.8387    2.7847    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8299    1.8172    0.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261    2.4126    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    0.4543    0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9158   -3.9512   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -4.8390    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4297   -2.6473   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3181   -3.5399    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213   -6.4534   -0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -0.8104   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145   -5.0612   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -2.4340    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    1.0513    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    0.0902    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    0.4786   -0.0311 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803   -1.1201    0.1043 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406   -7.3993    0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0802    3.8360    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    2.1245    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412    3.1560    0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3272   -0.2806    0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -4.0935   -0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717   -5.6844    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707   -1.8276   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -3.4271    0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3626   -6.7317   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084   -6.5004   -0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045   -1.5623   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761   -8.2712    0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 18  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 16  1  0  0  0  0
 10 28  1  0  0  0  0
 11  5  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  2  0  0  0  0
 17  9  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
>  <ID>
Z235449082

>  <Barcode>
0110705887

>  <Well>
F08

>  <Plate_ID>
816280-01

>  <MW>
224.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H12N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
