
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -2.1504    5.4763   -1.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827    5.2458   -3.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463   -4.2715   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835   -4.3227    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3183   -3.2045   -1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1949    2.0170   -2.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0822    3.4957   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572    0.9065   -1.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    2.3914   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   -3.3063    1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324    4.5093   -2.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.3230   -1.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    1.0920   -0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481   -2.2141   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9475   -0.0408    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -2.2685    0.9559 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562   -1.1257   -0.6909 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.1108    1.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201    4.9725   -1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177    6.3116   -2.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    5.8990   -1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5674    6.0508   -4.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120    5.6942   -2.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915    4.5625   -4.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -5.0511   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3390   -5.1290    0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035   -3.1598   -2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127    1.8547   -3.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871    4.4917   -0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9905   -0.0874   -1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261    2.5457    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457   -3.2867    2.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9989    4.1358   -3.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9987   -1.0985   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 11  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  2  0  0  0  0
  3 25  1  0  0  0  0
  4  3  1  0  0  0  0
  4 10  2  0  0  0  0
  4 26  1  0  0  0  0
  5 14  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  2  0  0  0  0
  8 30  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 17 34  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z85525355

>  <Barcode>
9990529574

>  <Well>
E10

>  <Plate_ID>
816280-04

>  <MW>
240.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
