
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -3.9642   -3.0825    2.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6641   -4.8922    0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285    0.9059    0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.2634   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6969    0.8698    1.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0406   -0.4205   -1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9609   -2.6693   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103   -1.1475    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301    0.1783    0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631   -0.4434   -0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -0.0258    1.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451   -1.0277   -0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4014   -3.4689    1.0899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055   -0.7861    0.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2106    0.4552    2.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -1.5654   -2.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0577   -3.1555    2.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6787   -2.0609    2.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696   -3.7235    3.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2048   -5.2152   -0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -5.5099    1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7378   -5.1101    0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670    1.4392    1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    0.3067   -1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511    1.3686    2.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1513   -0.9105   -2.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5278   -3.0409   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0440   -2.8336   -0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1426   -0.6926   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -0.7047    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  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  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <ID>
Z2856434895

>  <Barcode>
9990529619

>  <Well>
B12

>  <Plate_ID>
816280-04

>  <MW>
218.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14N2O2/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6H,7-8H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
