
    alatis_output_mol

 42 43  0  0  0  0  0  0  0  0999 V2000
   -2.6467    2.2222    4.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190    2.2923    4.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798   -4.0292   -2.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -3.8581   -1.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871   -2.7484   -2.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251   -2.6807   -1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4869   -1.5605   -2.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    1.7043    1.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810    2.8086    2.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842    0.3434    1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526    1.4777    2.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580   -1.3712   -1.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237    0.0366    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1571   -0.8130   -0.7101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1356    2.6630    2.6158 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186    0.5221    1.1897 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    0.3579   -0.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860    3.1575    4.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2123    1.3998    4.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309    2.0476    5.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6990    3.0596    4.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168    1.3419    4.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -4.8517   -2.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184   -4.3090   -3.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382   -3.7078   -0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -4.7776   -1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177   -2.8870   -3.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585   -2.5436   -1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558   -2.5590   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -2.9244   -2.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554   -1.7165   -3.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946   -0.6494   -3.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356    2.1656    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8453    1.5519    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821    3.3305    1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188    3.4685    2.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -0.1875    2.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -0.2717    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    1.6894    1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    1.0031    3.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561   -0.6405   -2.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752   -1.3999   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 15  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 12  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 16  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 14 13  1  0  0  0  0
 14 42  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z2856434830

>  <Barcode>
0110706252

>  <Well>
G12

>  <Plate_ID>
816280-07

>  <MW>
239.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H25N3O/c1-2-15-8-10-16(11-9-15)13(17)14-12-6-4-3-5-7-12/h12H,2-11H2,1H3,(H,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	11
3	C	17
4	C	15
5	C	16
6	C	13
7	C	12
8	C	8
9	C	9
10	C	6
11	C	7
12	C	10
13	C	1
14	N	3
15	N	4
16	N	2
17	O	5
18	H	34
19	H	36
20	H	35
21	H	28
22	H	29
23	H	41
24	H	42
25	H	37
26	H	38
27	H	39
28	H	40
29	H	32
30	H	33
31	H	30
32	H	31
33	H	23
34	H	24
35	H	25
36	H	26
37	H	19
38	H	20
39	H	21
40	H	22
41	H	27
42	H	18


> <ALATIS_Mixture_Map>

$$$$
