
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.3791   -1.2158    4.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2300   -0.1531    3.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713   -0.5108    4.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.0259    2.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    2.1961   -2.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1493    3.4893   -0.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887    0.9408   -2.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601    2.2174    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589   -0.5918    2.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202   -0.7490    3.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2848    3.4720   -2.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612   -0.2028    1.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968    3.6375   -2.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164   -0.0759   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702    3.6882   -3.5552 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790    1.0180   -0.6495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5680    3.7485   -1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -0.9675   -0.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.5356    4.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -2.2213    4.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2179   -1.2545    3.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.0108    4.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -0.6244    5.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428    0.2088    1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    2.2370   -2.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112    2.1267   -3.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428    3.5793   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601    4.3636   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760    0.8118   -2.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2544    0.0600   -2.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    2.2625    1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    2.1504    0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -0.7811    1.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1637    4.3424   -2.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667    3.8449   -4.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585    3.8785   -3.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  2  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 16  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 11  6  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 15 13  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z32400357

>  <Barcode>
9990529557

>  <Well>
G03

>  <Plate_ID>
816280-04

>  <MW>
246.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
