
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.8800    4.4608   -2.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3106    4.5986   -1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940    3.1834   -3.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    3.4628   -0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783   -0.0867   -0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9128    1.1603    1.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2669   -0.2106   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879    1.0222    1.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.7170   -3.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    2.0176   -2.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796    2.1450   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    1.0655   -0.2632 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364   -0.3505   -2.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -0.2014    1.4133 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1563    5.3327   -3.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305    5.5902   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    3.0943   -4.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    3.6341    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6623   -0.9914   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267   -0.0386   -1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964    2.0749    1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5320    0.3280    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401   -1.1607   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507    0.5958   -0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088    0.9940    2.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    1.8647    1.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9066    0.8838   -3.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    0.3962   -3.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    0.0216   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  5  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  6  1  0  0  0  0
  8 25  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13  9  1  0  0  0  0
 13 29  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z235361235

>  <Barcode>
9990532017

>  <Well>
B10

>  <Plate_ID>
816280-05

>  <MW>
193.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
