
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.1228   -0.8057   -2.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6236   -1.8181   -1.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969    0.6222   -2.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9733   -1.4055   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956    0.9942   -1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105    0.4416    1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916    2.1996   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951    0.4721    1.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1748    2.2297    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131    1.3398    0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919    1.3123    0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132    0.0237   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638    1.3751    0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    0.0451    0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138    1.4614    1.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498   -1.0759   -3.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173   -0.8501   -2.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5399   -1.9369   -1.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -2.7984   -2.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    1.3183   -3.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6139    0.7275   -2.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438   -2.1280    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626   -1.4658   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1911    0.9746   -1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082    2.0296   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059   -0.2604    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426    2.8847   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4482   -0.2072    2.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7884    2.9260   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719    2.1128   -0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    1.6412    1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298    0.2759    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -0.2135   -0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3666    0.8733    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
  6 26  1  0  0  0  0
  7 11  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
  9  7  2  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13  8  2  0  0  0  0
 14 33  1  0  0  0  0
 15 13  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
>  <ID>
Z2241127906

>  <Barcode>
0110705982

>  <Well>
F07

>  <Plate_ID>
816280-03

>  <MW>
205.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H19NO/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12/h6-9,12,14-15H,1-5,10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
