
    alatis_output_mol

 33 35  0  0  0  0  0  0  0  0999 V2000
   -1.1633    3.2817    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294    3.9247    2.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -2.7998   -2.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298   -3.5242   -3.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704   -1.5831   -4.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691   -2.8019   -5.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2544   -1.1548   -2.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819    1.5627    1.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    2.4232    2.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7791   -1.8792   -3.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1016   -1.6258   -1.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809   -3.0443   -4.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    0.0237   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    0.5445    0.8303 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155   -0.9654   -0.8587 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521    0.4357   -0.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8242   -3.6470   -5.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404    3.3819    1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739    3.2797    0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153    4.3681    1.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431    4.4687    2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229   -3.1766   -1.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -4.4400   -3.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549   -0.6533   -5.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842   -1.5360   -3.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787   -3.3979   -5.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -2.4942   -6.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7446   -0.2342   -2.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948    1.0566    2.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844    2.1556    1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908    1.9589    2.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    0.0544    1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3610   -1.3321   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  2  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  5  1  0  0  0  0
  6 17  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  2  0  0  0  0
  7 28  1  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9  8  1  0  0  0  0
  9 31  1  0  0  0  0
 10  7  1  0  0  0  0
 11 15  1  0  0  0  0
 12  4  1  0  0  0  0
 12 10  2  0  0  0  0
 14 13  1  0  0  0  0
 14 32  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z413792090

>  <Barcode>
0110706319

>  <Well>
B08

>  <Plate_ID>
816280-07

>  <MW>
232.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H16N2O2/c16-13(14-8-9-1-2-9)15-11-3-4-12-10(7-11)5-6-17-12/h3-4,7,9H,1-2,5-6,8H2,(H2,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
