
    alatis_output_mol

 39 40  0  0  0  0  0  0  0  0999 V2000
   -4.2341    7.2213   -4.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646    7.0407   -3.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.3677    2.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8153    0.8713    1.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575   -0.7102    0.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9239    4.6870   -2.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465    6.4830   -2.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0378    3.7636   -2.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    5.5541   -1.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253    2.0418    1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.5025    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    3.4360   -1.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6331    6.0552   -2.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8383    4.1895   -1.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881    2.1921   -0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028    1.6565    0.2912 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9705    1.7391   -1.8333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429    3.1906   -1.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586    7.8914   -5.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    7.6531   -5.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2577    6.2655   -5.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5158    8.0075   -2.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    6.6920   -3.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -1.2207    2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -0.1831    2.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954    0.6372    0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278    1.1403    2.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6858   -1.5251    1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -1.0716    0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8375    4.3268   -3.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2059    7.5427   -2.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737    2.7034   -2.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559    5.9289   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    2.9262    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833    2.3031    2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5224    0.7900    1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287    0.2471   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159    3.7271   -2.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671    4.2316   -0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  8 14  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  2  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13  7  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <ID>
Z18839017

>  <Barcode>
0110706297

>  <Well>
D10

>  <Plate_ID>
816280-07

>  <MW>
247.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	14
3	C	18
4	C	15
5	C	16
6	C	10
7	C	11
8	C	8
9	C	9
10	C	13
11	C	12
12	C	3
13	C	7
14	C	6
15	C	2
16	N	1
17	O	4
18	O	5
19	H	36
20	H	35
21	H	37
22	H	29
23	H	30
24	H	38
25	H	39
26	H	31
27	H	32
28	H	33
29	H	34
30	H	23
31	H	24
32	H	21
33	H	22
34	H	27
35	H	28
36	H	25
37	H	26
38	H	19
39	H	20


> <ALATIS_Mixture_Map>

$$$$
