
    alatis_output_mol

 39 40  0  0  0  0  0  0  0  0999 V2000
   -1.8945    2.3825   -3.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2464    3.2212   -2.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974    0.9808   -3.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915    2.5668   -1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762    0.2806   -2.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3581   -3.3623    1.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1506   -1.8894    3.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -1.0014    0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7034   -4.3683    2.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5049   -2.9591    3.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -1.0557    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0635   -2.0914    1.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489    1.0984   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165   -0.0886   -0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7827   -4.1955    3.3864 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943   -0.0803   -0.1802 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027    0.9706   -0.9333 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301   -0.9305    0.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520    2.8666   -4.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9773    2.3218   -3.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852    3.3702   -2.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7114    4.2142   -2.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817    0.3908   -4.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2332    1.0384   -3.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    3.1564   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524    2.6095   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5485    0.1022   -2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9977   -0.7043   -2.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953   -3.5807    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9210   -0.9289    3.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9768   -1.1172   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8866   -0.0224    1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.3750    1.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608   -2.8508    4.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -2.0495    0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089   -0.9020    1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3921    0.6684   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008    0.8451   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850    1.3282   -1.6763 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 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  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 13  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  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
  7 12  2  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9  6  2  0  0  0  0
  9 33  1  0  0  0  0
 10  7  1  0  0  0  0
 10 34  1  0  0  0  0
 11 16  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12  8  1  0  0  0  0
 13 17  1  0  0  0  0
 13 37  1  0  0  0  0
 15  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 16 38  1  0  0  0  0
 17 14  1  0  0  0  0
 17 39  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z111507846

>  <Barcode>
0110705772

>  <Well>
G12

>  <Plate_ID>
816280-02

>  <MW>
247.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
