
    alatis_output_mol

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.5960   -0.5340   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    0.8562   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344   -1.3048   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    1.4775   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    2.4451   -2.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2112    3.6739   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551    3.6261   -2.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670    4.8560   -0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0803   -1.5170   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976   -0.7282    0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984    1.1958    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646    1.4131    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9468    2.4615   -0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771   -0.6884   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0823    0.7143   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2666    4.8237   -2.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    0.5440   -0.3036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3591    5.9630   -2.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5683   -1.0191   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159    1.4550   -0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5137   -2.3879   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    2.5634    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7127    1.5119   -2.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2809    3.7079    0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883    3.6127   -4.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5567    5.7844   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497   -1.8529   -1.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -2.4066    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1882   -1.3471    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2194   -0.5500    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7664    1.4079    1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5251    0.5112   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323    2.2511   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    1.8239    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3701    6.7232   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  6 13  2  0  0  0  0
  6 24  1  0  0  0  0
  7  5  2  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  2  0  0  0  0
 18 16  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
>  <ID>
Z2856434812

>  <Barcode>
0110706329

>  <Well>
A07

>  <Plate_ID>
816280-07

>  <MW>
239.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
