
    alatis_output_mol

 35 37  0  0  0  0  0  0  0  0999 V2000
   -7.1621    3.8963    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    0.5554    3.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744    1.8220    2.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786   -0.4231    2.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2261    2.1544    1.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9897    2.4981   -1.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6392    3.6468    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8236    1.1763   -0.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5433    2.3135    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8553   -0.7661    1.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9005    3.7297   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6926   -0.1018    1.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    1.1657    1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5584    0.1497    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8343    0.0413   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6201    1.2003   -0.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164   -1.0261   -0.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317    1.3061    0.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0430    4.0136   -0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0846    4.7893    0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3402    3.0403    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.3243    3.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0400    2.5639    2.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465   -1.4016    3.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    3.1303    1.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9362    2.4979   -2.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1881    2.5714   -2.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7567    3.7612   -0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6148    4.4719    0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6774    0.9876   -0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7843    0.3541   -1.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468    2.2925    1.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3750    2.1917    1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785   -1.7736    1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8181    4.6226   -1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 22  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  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 11  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 14  2  0  0  0  0
 10 34  1  0  0  0  0
 11  6  1  0  0  0  0
 11 35  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13 18  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <ID>
Z32665176

>  <Barcode>
9990529565

>  <Well>
F06

>  <Plate_ID>
816280-04

>  <MW>
243.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
