
    alatis_output_mol

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.3552    3.0115   -5.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0677    1.8452   -4.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066    4.3673   -5.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126    1.9970   -3.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8095    4.4920   -3.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    3.4198   -2.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6874    2.3513   -1.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142    1.2207    1.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4106    1.9020    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855   -0.1403    1.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    0.5089    1.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4878    3.3253   -2.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638    2.4907   -0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615    1.8535    0.4763 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050    3.0764   -1.3773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672   -0.0319    2.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387    2.9218   -6.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017    2.9592   -6.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9879    1.7704   -4.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645    0.9069   -5.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566    5.1646   -5.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0286    4.5199   -4.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032    1.1409   -2.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8925    1.9590   -3.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8939    4.5218   -3.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5425    5.4471   -3.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8856    4.4046   -1.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195    3.3705   -3.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    1.3481   -1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4066    2.4435   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004    1.8995    2.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016    1.0969    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1108    2.2909    0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    2.5922    1.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430   -0.5530    2.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3619   -0.8485    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8369    0.5608    1.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170   -0.1809    0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1480    3.4155   -1.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10  8  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11  9  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12  6  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z31721798

>  <Barcode>
0110705939

>  <Well>
B12

>  <Plate_ID>
816280-01

>  <MW>
225.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	14
3	C	15
4	C	13
5	C	12
6	C	6
7	C	4
8	C	7
9	C	8
10	C	11
11	C	10
12	C	9
13	C	2
14	N	1
15	O	3
16	O	5
17	H	38
18	H	39
19	H	34
20	H	35
21	H	36
22	H	37
23	H	32
24	H	33
25	H	30
26	H	31
27	H	19
28	H	20
29	H	17
30	H	18
31	H	21
32	H	22
33	H	23
34	H	24
35	H	28
36	H	29
37	H	26
38	H	27
39	H	25


> <ALATIS_Mixture_Map>

$$$$
