
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
   -1.6971   -0.6991   -7.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063   -2.1291   -4.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766    0.2462   -4.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -2.3324   -5.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    0.0387   -5.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6649   -0.2679   -1.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703   -1.1120   -2.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519   -0.6102   -2.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.8354   -3.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754   -1.2534   -6.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1651   -0.3654   -1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5569   -1.7647   -3.5945 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.5084   -2.5933 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624   -0.2327   -0.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722   -1.5755   -7.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0099   -1.0434   -8.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661   -0.7492   -7.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529    0.3318   -7.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855   -2.9906   -3.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085    1.2637   -4.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3174   -3.3425   -5.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456    0.9094   -6.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1304   -0.5761   -0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.7825   -1.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5860    0.3108   -1.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203   -1.4285   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985   -0.6774   -3.5057 H   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  3 20  1  0  0  0  0
  4  2  2  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  3  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 13 11  1  0  0  0  0
 13 27  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z190662888

>  <Barcode>
0110705857

>  <Well>
H02

>  <Plate_ID>
816280-01

>  <MW>
204.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12/h2-5H,6,8H2,1H3,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
