
    alatis_output_mol

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.5071    2.5634   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7248   -0.4702    1.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    1.2257   -0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260   -0.2300    1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8219    2.4602    1.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589    1.3646    1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4303    2.3058    1.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1028    0.1016    1.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253    0.0776    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8532    1.0632    1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7199   -0.0482    0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957    0.0915    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5546    1.0156    0.8081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -1.3499    0.9427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6048   -0.7668   -0.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    2.4726    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    3.2446   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280    3.0330    0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812    0.4638    1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541   -1.1707    0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874   -0.8943    2.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052    1.3772   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4293    0.9067   -0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195   -1.1407    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9423    0.5610    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523    3.4391    1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7391    1.4806    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026    3.1971    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430   -0.7709    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -0.8163   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735    1.8420    1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4074   -1.3542    0.5317 H   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6  5  1  0  0  0  0
  6  8  2  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  2  0  0  0  0
 13 12  1  0  0  0  0
 13 31  1  0  0  0  0
 14 11  1  0  0  0  0
 14 32  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <ID>
Z1331830630

>  <Barcode>
0110770182

>  <Well>
H07

>  <Plate_ID>
816280-08

>  <MW>
207.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H17NO2/c1-3-9(4-2)12(15)13-10-7-5-6-8-11(10)14/h5-9,14H,3-4H2,1-2H3,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
