
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.7560    6.9605   -2.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9855    3.1872   -2.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5079    4.7143   -1.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    2.1130   -1.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    3.6234   -0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -1.2147   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010    0.0071   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.1184    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477    1.3118    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740    5.6000   -2.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5904    4.4971   -2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344   -1.2300    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    2.2975   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953   -1.3530    1.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -2.4781    2.3926 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885    1.1958   -0.4494 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310    5.3857   -3.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283   -0.5355    2.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    7.6505   -2.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9812    7.3110   -4.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    6.9458   -2.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161    2.9877   -3.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    5.7157   -1.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6236    1.1102   -2.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223    3.8432   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994   -1.3738   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021   -2.0324    0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.0844   -1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.0542    0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5117    0.2726    1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    0.0737   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3294    2.1210   -0.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740    1.5210    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395   -2.1201   -0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -3.2833    1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365   -2.6137    3.3907 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  4  2  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  2  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 16  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 17 10  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z126933926

>  <Barcode>
0110705858

>  <Well>
H03

>  <Plate_ID>
816280-01

>  <MW>
246.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
