
    alatis_output_mol

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.8700    4.8493    2.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    3.4633    3.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4616    0.6294    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2613    1.3351    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    0.4894   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024   -0.8951   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -0.7484    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881    4.6229    1.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0614    2.6251    1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4665    2.7845   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    1.2869   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290    0.6539   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0650   -1.4872   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068   -0.7550   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629   -1.4500    0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865    3.1664    1.3724 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102   -2.8608   -0.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4123    5.3715    3.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209    5.4470    2.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962    3.4484    3.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    3.0999    3.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116    1.1471    0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    2.4187    0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    0.9526   -0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872   -1.5084   -0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3164   -1.3445    0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    5.0514    1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    5.1172    0.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657    2.7639    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950    1.5661    2.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601    3.1096   -0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5728    3.3231   -0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -3.0444   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7  3  1  0  0  0  0
  7 15  2  0  0  0  0
  7 26  1  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 16  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
>  <ID>
Z2856434902

>  <Barcode>
9990531952

>  <Well>
G08

>  <Plate_ID>
816280-05

>  <MW>
228.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H16N2O/c17-13-6-5-11(10-16-8-1-2-9-16)12-4-3-7-15-14(12)13/h3-7,17H,1-2,8-10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	17
3	C	15
4	C	13
5	C	8
6	C	9
7	C	14
8	C	11
9	C	12
10	C	5
11	C	2
12	C	3
13	C	7
14	C	1
15	N	6
16	N	4
17	O	10
18	H	30
19	H	31
20	H	32
21	H	33
22	H	29
23	H	27
24	H	20
25	H	21
26	H	28
27	H	23
28	H	24
29	H	25
30	H	26
31	H	18
32	H	19
33	H	22


> <ALATIS_Mixture_Map>

$$$$
