
    alatis_output_mol

 28 28  0  0  1  0  0  0  0  0999 V2000
    1.9425    2.3522    3.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4804   -1.1528   -4.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    0.0949   -4.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806   -2.1507   -4.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    0.3286   -2.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730   -1.9066   -3.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8198    0.6070    2.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692    2.0033    2.3468 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1096   -0.6787   -2.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084    0.1085   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938    0.2286    1.0039 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4646   -0.4941   -1.1549 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    2.9802    1.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774    0.4708   -0.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    3.3427    3.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    2.3956    4.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709    1.6228    4.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397   -1.3484   -5.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    0.8790   -4.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256   -3.1274   -4.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    1.3019   -2.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -2.7038   -2.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -0.1575    2.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    0.5720    2.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    2.0717    1.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -0.0269    0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -1.2055   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888    2.7481    1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  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
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  9  2  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  7  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 12  1  0  0  0  0
 11 10  1  0  0  0  0
 11 26  1  0  0  0  0
 12 10  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z1563512128

>  <Barcode>
9990529453

>  <Well>
A11

>  <Plate_ID>
816280-04

>  <MW>
194.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
