
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -1.2358    4.8332    3.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0147    0.8297    1.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7983    2.3967    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225    1.7979    1.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0879    3.3615    1.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238    0.0181    1.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -1.2074   -0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969   -1.3133    2.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287   -2.5028    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592    1.1188    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    0.0212    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1642    3.0580    2.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    0.0517    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4287   -2.4376    1.4051 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149   -0.7634   -0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    3.9387    2.9057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741    5.4383    4.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010    5.5218    3.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503    4.2797    4.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -0.1504    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    2.6681    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7121    1.5710    2.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    4.3512    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2049    0.2003    1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    0.8278    2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -1.2887   -1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1273   -1.0793   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304   -1.4650    2.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980   -1.2889    3.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -2.7374    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2814   -3.3375   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607    0.9136   -0.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -2.3393    1.3116 H   0  0  0  0  0  0  0  0  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
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  3 21  1  0  0  0  0
  4  2  2  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5  3  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12  5  2  0  0  0  0
 14  8  1  0  0  0  0
 14  9  1  0  0  0  0
 14 33  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <ID>
Z1741973467

>  <Barcode>
0110705930

>  <Well>
B03

>  <Plate_ID>
816280-01

>  <MW>
219.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H17NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
