
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.6418    6.5952   -5.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246   -0.9090    2.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    3.0243   -3.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428    4.7204   -1.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    2.0538   -2.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    3.7416   -0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116    0.4037    1.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    1.4840    2.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    0.3638    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    1.5023    0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5881    5.2812   -5.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293    4.3668   -2.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587    2.3853   -0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742    5.4024   -3.8060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    0.3872    2.7124 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    1.4055   -0.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9732    4.2524   -5.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6819    6.8174   -6.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412    7.4232   -5.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502    6.5078   -6.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.9196    3.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286   -1.1740    1.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986   -1.7029    2.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    2.6874   -4.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239    5.7579   -1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921    1.0121   -2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    4.0639    0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    1.3235    2.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770   -0.4205    2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861    2.4349    2.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293    1.4579    2.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    0.4814   -0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   -0.6151    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699    0.6503    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181    2.3939    0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    6.3295   -3.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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
  2 23  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4 25  1  0  0  0  0
  5 13  2  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 12  1  0  0  0  0
 14 36  1  0  0  0  0
 15  8  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <ID>
Z2856434903

>  <Barcode>
0110705849

>  <Well>
A07

>  <Plate_ID>
816280-02

>  <MW>
233.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
