
    alatis_output_mol

 37 37  0  0  0  0  0  0  0  0999 V2000
   -7.4900    1.6672   -1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -2.0615   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   -0.0331    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662   -0.7242    1.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0100    1.9941   -1.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -0.1836   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524    1.8312   -1.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658   -0.1544   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400    1.8631   -1.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591    0.8065   -0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9511    0.8718   -1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0101   -0.0485   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034   -0.6501    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446    0.8314   -0.8176 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    0.2075   -0.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874   -0.9552    0.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3032    0.7674   -1.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0855    2.5794   -1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6848    1.0289   -2.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8243    1.1131   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -2.5629   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894   -2.0222   -1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480   -2.6979    0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5909   -0.6355    0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9470    0.0375   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8623    0.9799    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    0.2772    2.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3287   -1.1886    2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764   -1.3161    2.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7076    2.4932   -2.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8325    2.6537   -0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871   -1.0066    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1455    2.6121   -2.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856   -0.9408   -0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498    2.6582   -2.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7311    1.6189   -1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6078    0.6425   -1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 10  1  0  0  0  0
  6 32  1  0  0  0  0
  7 10  2  0  0  0  0
  7 33  1  0  0  0  0
  8  6  2  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
  9  7  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 14 36  1  0  0  0  0
 15 12  1  0  0  0  0
 15 37  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z44586802

>  <Barcode>
9990529553

>  <Well>
G07

>  <Plate_ID>
816280-04

>  <MW>
236.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H20N2O2/c1-5-17-11-8-6-10(7-9-11)14-12(16)15-13(2,3)4/h6-9H,5H2,1-4H3,(H2,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
