
    alatis_output_mol

 38 39  0  0  0  0  0  0  0  0999 V2000
    0.2131    4.8421    1.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    2.9545   -0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    1.5053    2.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265    2.8675    2.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089    0.5971    1.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111   -2.3270    0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -3.3679   -1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083   -2.1642    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2961   -3.2031   -1.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1447   -1.0453   -0.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453    3.3475    1.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    2.4300    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278    1.0434    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097    0.0575   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    0.0431    0.0679 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277   -2.3553   -0.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748    0.8428    0.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   -3.1968   -0.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8484    5.1619    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620    5.2284    2.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7647    5.3171    1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    3.3890   -0.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0669    3.7128   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739    2.1875   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7492    1.1511    3.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300    3.5659    3.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888   -0.4645    1.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736   -3.2878    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -1.5623    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253   -3.3713   -2.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -4.3548   -0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8296   -1.1854    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1922   -2.2474    1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090   -2.2882   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490   -4.0435   -2.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652   -1.1218   -1.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1088   -0.6991   -1.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338   -0.8915    0.0653 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 12  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  2  0  0  0  0
  5 27  1  0  0  0  0
  6 16  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 16  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  6  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9  7  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 15 38  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  2  0  0  0  0
 18  8  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <ID>
Z2856434834

>  <Barcode>
9990529541

>  <Well>
H06

>  <Plate_ID>
816280-04

>  <MW>
248.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
